Crystallography Open Database
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4501447 | CIF | C39 H42 Cl4 N2 O2 Ti | P 1 21/c 1 | 16.8818; 10.7967; 20.6102 90; 99.5901; 90 | 3704.08 | Terao, Hiroshi; Iwashita, Akihiko; Matsukawa, Naoto; Ishii, Seiichi; Mitani, Makoto; Tanaka, Hidetsugu; Nakano, Takashi; Fujita, Terunori Ethylene and Ethylene/α-Olefin (Co)Polymerization Behavior of Bis(phenoxy−imine)Ti Catalysts: Significant Substituent Effects on Activity and Comonomer Incorporation ACS Catalysis, 2011, 1, 254 |
4501448 | CIF | C47 H59 Cl2 N2 O2 Ti | P 1 21/a 1 | 15.976; 25.591; 10.943 90; 102.3; 90 | 4371 | Terao, Hiroshi; Iwashita, Akihiko; Matsukawa, Naoto; Ishii, Seiichi; Mitani, Makoto; Tanaka, Hidetsugu; Nakano, Takashi; Fujita, Terunori Ethylene and Ethylene/α-Olefin (Co)Polymerization Behavior of Bis(phenoxy−imine)Ti Catalysts: Significant Substituent Effects on Activity and Comonomer Incorporation ACS Catalysis, 2011, 1, 254 |
4501449 | CIF | C20 H19 Br N4 O5 | P 1 21 1 | 7.8416; 13.964; 9.5724 90; 106.198; 90 | 1006.6 | Hua, Qiu-Lin; Li, Chao; Wang, Xu-Fan; Lu, Liang-Qiu; Chen, Jia-Rong; Xiao, Wen-Jing Enantioselective Synthesis of Chromans with a Quaternary Stereogenic Centre through Catalytic Asymmetric Cascade Reactions ACS Catalysis, 2011, 1, 221 |
4501450 | CIF | C22 H32 B N3 O3 Zn | P 1 21/c 1 | 10.8363; 13.4156; 16.1656 90; 96.788; 90 | 2333.61 | Mukherjee, Debabrata; Thompson, Richard R.; Ellern, Arkady; Sadow, Aaron D. Coordinatively Saturated Tris(oxazolinyl)borato Zinc Hydride-Catalyzed Cross Dehydrocoupling of Silanes and Alcohols ACS Catalysis, 2011, 1, 698 |
4501451 | CIF | C31 H42 B N3 O4.5 Zn | P 1 21/c 1 | 21.569; 9.896; 15.813 90; 106.292; 90 | 3240 | Mukherjee, Debabrata; Thompson, Richard R.; Ellern, Arkady; Sadow, Aaron D. Coordinatively Saturated Tris(oxazolinyl)borato Zinc Hydride-Catalyzed Cross Dehydrocoupling of Silanes and Alcohols ACS Catalysis, 2011, 1, 698 |
4501452 | CIF | C17 H20 O2 Si | P -1 | 7.821; 8.589; 13.088 84.193; 86.915; 63.19 | 780.6 | Mukherjee, Debabrata; Thompson, Richard R.; Ellern, Arkady; Sadow, Aaron D. Coordinatively Saturated Tris(oxazolinyl)borato Zinc Hydride-Catalyzed Cross Dehydrocoupling of Silanes and Alcohols ACS Catalysis, 2011, 1, 698 |
4501453 | CIF | C13 H20 O2 Si | P 1 21/c 1 | 7.7423; 12.8158; 13.6032 90; 97.565; 90 | 1338.01 | Mukherjee, Debabrata; Thompson, Richard R.; Ellern, Arkady; Sadow, Aaron D. Coordinatively Saturated Tris(oxazolinyl)borato Zinc Hydride-Catalyzed Cross Dehydrocoupling of Silanes and Alcohols ACS Catalysis, 2011, 1, 698 |
4501454 | CIF | C53.33 H52 Co F6 N4 O6.67 S2.67 Sb | P -1 | 15.694; 16.579; 17.451 87.054; 88.06; 62.315 | 4015.2 | Venkatasubbaiah, Krishnan; Zhu, Xunjin; Kays, Elizabeth; Hardcastle, Kenneth I.; Jones, Christopher W. Co(III)-Porphyrin-Mediated Highly Regioselective Ring-Opening of Terminal Epoxides with Alcohols and Phenols ACS Catalysis, 2011, 489 |
4501455 | CIF | C41 H55 Hf N5 S | P 1 21/c 1 | 17.633; 10.0494; 22.504 90; 97.714; 90 | 3951.6 | Diamond, Gary M.; Hall, Keith A.; LaPointe, Anne M.; Leclerc, Margarete K.; Longmire, James; Shoemaker, James A. W.; Sun, Pu High-Throughput Discovery and Optimization of Hafnium Heteroaryl-amido Catalysts for the Isospecific Polymerization of Propylene ACS Catalysis, 2011, 1, 887 |
4501456 | CIF | C38 H46 Hf N2 S | P -1 | 11.2458; 13.4734; 13.5863 67.489; 81.795; 88.766 | 1881 | Diamond, Gary M.; Hall, Keith A.; LaPointe, Anne M.; Leclerc, Margarete K.; Longmire, James; Shoemaker, James A. W.; Sun, Pu High-Throughput Discovery and Optimization of Hafnium Heteroaryl-amido Catalysts for the Isospecific Polymerization of Propylene ACS Catalysis, 2011, 1, 887 |
4501457 | CIF | C35 H46 Hf N4 O S | P 1 21/c 1 | 14.4153; 14.2346; 16.653 90; 98.959; 90 | 3375.4 | Diamond, Gary M.; Hall, Keith A.; LaPointe, Anne M.; Leclerc, Margarete K.; Longmire, James; Shoemaker, James A. W.; Sun, Pu High-Throughput Discovery and Optimization of Hafnium Heteroaryl-amido Catalysts for the Isospecific Polymerization of Propylene ACS Catalysis, 2011, 1, 887 |
4501458 | CIF | C48 H72 Hf N6 O | P 1 21/n 1 | 21.626; 19.173; 25.68 90; 108.965; 90 | 10070 | Diamond, Gary M.; Hall, Keith A.; LaPointe, Anne M.; Leclerc, Margarete K.; Longmire, James; Shoemaker, James A. W.; Sun, Pu High-Throughput Discovery and Optimization of Hafnium Heteroaryl-amido Catalysts for the Isospecific Polymerization of Propylene ACS Catalysis, 2011, 1, 887 |
4501459 | CIF | C33 H49 Cl N O P Ru | P -1 | 8.972; 9.6985; 18.4616 100.458; 94.892; 90.021 | 1573.79 | Schachner, Jörg A.; Cabrera, José; Padilla, Robin; Fischer, Christoph; van der Schaaf, Paul A.; Pretot, Roger; Rominger, Frank; Limbach, Michael A Set of Olefin Metathesis Catalysts with Extraordinary Stickiness to Silica ACS Catalysis, 2011, 1, 872 |
4501460 | CIF | C43 H50 Cl N3 O Ru | P 1 21/c 1 | 16.7458; 16.9502; 14.9589 90; 109.887; 90 | 3992.8 | Schachner, Jörg A.; Cabrera, José; Padilla, Robin; Fischer, Christoph; van der Schaaf, Paul A.; Pretot, Roger; Rominger, Frank; Limbach, Michael A Set of Olefin Metathesis Catalysts with Extraordinary Stickiness to Silica ACS Catalysis, 2011, 1, 872 |
4501461 | CIF | C18 H36 F5 N4 O4 Zn | P -1 | 7.944; 8.854; 16.032 79.805; 81.63; 80.763 | 1087.4 | Maegawa, Yusuke; Ohshima, Takashi; Hayashi, Yukiko; Agura, Kazushi; Iwasaki, Takanori; Mashima, Kazushi Additive Effect ofN-Heteroaromatics on Transesterification Catalyzed by Tetranuclear Zinc Cluster ACS Catalysis, 2011, 1, 1178 |
4501462 | CIF | C42 H78 N2 O8 Pd Si2 | P 1 21/n 1 | 13.76; 24.958; 14.913 90; 101.799; 90 | 5013 | Choi, Yeon S.; Moschetta, Eric G.; Miller, Jeffrey T.; Fasulo, Meg; McMurdo, Meredith J.; Rioux, Robert M.; Tilley, T. Don Highly Dispersed Pd-SBA15 Materials from Tris(tert-butoxy)siloxy Complexes of Pd(II) ACS Catalysis, 2011, 1, 1166 |
4501463 | CIF | C31 H54 N2 O4 Pd Si | C 1 2/c 1 | 33.989; 9.3744; 28.483 90; 121.11; 90 | 7770.2 | Choi, Yeon S.; Moschetta, Eric G.; Miller, Jeffrey T.; Fasulo, Meg; McMurdo, Meredith J.; Rioux, Robert M.; Tilley, T. Don Highly Dispersed Pd-SBA15 Materials from Tris(tert-butoxy)siloxy Complexes of Pd(II) ACS Catalysis, 2011, 1, 1166 |
4501464 | CIF | C16 H30 F6 Fe N4 O6 S2 | F d d 2 | 8.8289; 32.679; 16.3726 90; 90; 90 | 4723.8 | Feng, Yan; England, Jason; Que, Lawrence Iron-Catalyzed Olefin Epoxidation and cis-Dihydroxylation by Tetraalkylcyclam Complexes: the Importance of cis-Labile Sites ACS Catalysis, 2011, 1, 1035 |
4501465 | CIF | C20 H23 Cl4 N3 Ni O2 | P -1 | 7.7306; 10.879; 13.935 87.26; 78.61; 82.14 | 1137.8 | Zhang, Liping; Hao, Xiang; Sun, Wen-Hua; Redshaw, Carl Synthesis, Characterization, and Ethylene Polymerization Behavior of 8-(Nitroarylamino)-5,6,7-trihydroquinolylnickel Dichlorides: Influence of the Nitro Group and Impurities on Catalytic Activity ACS Catalysis, 2011, 1, 1213 |
4501466 | CIF | C21 H25 Cl2 N3 Ni O2 | P 1 21/n 1 | 9.1206; 28.489; 9.4194 90; 116.45; 90 | 2191.3 | Zhang, Liping; Hao, Xiang; Sun, Wen-Hua; Redshaw, Carl Synthesis, Characterization, and Ethylene Polymerization Behavior of 8-(Nitroarylamino)-5,6,7-trihydroquinolylnickel Dichlorides: Influence of the Nitro Group and Impurities on Catalytic Activity ACS Catalysis, 2011, 1, 1213 |
4501467 | CIF | C21 H25 Cl2 N3 Ni O2 | P -1 | 8.4918; 11.126; 14.794 107.41; 103.11; 96.34 | 1274.8 | Zhang, Liping; Hao, Xiang; Sun, Wen-Hua; Redshaw, Carl Synthesis, Characterization, and Ethylene Polymerization Behavior of 8-(Nitroarylamino)-5,6,7-trihydroquinolylnickel Dichlorides: Influence of the Nitro Group and Impurities on Catalytic Activity ACS Catalysis, 2011, 1, 1213 |
4501468 | CIF | C20 H23 Cl3 N3 Ni0.5 O2 | P -1 | 9.1269; 10.212; 12.557 112.06; 96.8; 98.4 | 1053.7 | Zhang, Liping; Hao, Xiang; Sun, Wen-Hua; Redshaw, Carl Synthesis, Characterization, and Ethylene Polymerization Behavior of 8-(Nitroarylamino)-5,6,7-trihydroquinolylnickel Dichlorides: Influence of the Nitro Group and Impurities on Catalytic Activity ACS Catalysis, 2011, 1, 1213 |
4505631 | CIF | C48 H56 Br4 N4 Ni2 | P 1 21/n 1 | 14.0495; 9.9391; 17.681 90; 110.777; 90 | 2308.4 | Zai, Shaobo; Gao, Haiyang; Huang, Zengfang; Hu, Haibin; Wu, Han; Wu, Qing Substituent Effects of Pyridine-amine Nickel Catalyst Precursors on Ethylene Polymerization ACS Catalysis, 2012, 2, 433 |
4505632 | CIF | C27 H35 Br2 Cl4 N2 Ni O | P 1 21/c 1 | 18.146; 12.048; 18.386 90; 119.14; 90 | 3510.9 | Zai, Shaobo; Gao, Haiyang; Huang, Zengfang; Hu, Haibin; Wu, Han; Wu, Qing Substituent Effects of Pyridine-amine Nickel Catalyst Precursors on Ethylene Polymerization ACS Catalysis, 2012, 2, 433 |
4505633 | CIF | C38 H52 Br2 N4 Ni | P 1 21/c 1 | 11.7518; 10.9119; 18.5929 90; 128.486; 90 | 1866.3 | Zai, Shaobo; Gao, Haiyang; Huang, Zengfang; Hu, Haibin; Wu, Han; Wu, Qing Substituent Effects of Pyridine-amine Nickel Catalyst Precursors on Ethylene Polymerization ACS Catalysis, 2012, 2, 433 |
4505634 | CIF | C18 H20 I N O5 S | P 1 21/n 1 | 9.806; 12.76; 15.657 90; 102.62; 90 | 1911.7 | Guilbault, Audrey-Anne; Legault, Claude Y. Drastic Enhancement of Activity in Iodane-Based α-Tosyloxylation of Ketones: Iodine(III) Does the Hypervalent Twist ACS Catalysis, 2012, 2, 219 |
4505635 | CIF | C19 H22 I N O5 S | P 1 21/c 1 | 7.172; 7.921; 33.699 90; 93.67; 90 | 1910.5 | Guilbault, Audrey-Anne; Legault, Claude Y. Drastic Enhancement of Activity in Iodane-Based α-Tosyloxylation of Ketones: Iodine(III) Does the Hypervalent Twist ACS Catalysis, 2012, 2, 219 |
4506119 | CIF | C50 H58 Cl4 O6 P2 Pd2 S2 | C 1 2/c 1 | 20.009; 13.184; 19.278 90; 95.989; 90 | 5058 | Cai, Zhengguo; Shen, Zhongliang; Zhou, Xiaoyuan; Jordan, Richard F. Enhancement of Chain Growth and Chain Transfer Rates in Ethylene Polymerization by (Phosphine-sulfonate)PdMe Catalysts by Binding of B(C6F5)3to the Sulfonate Group ACS Catalysis, 2012, 2, 1187 |
4506120 | CIF | C72 H102 O6 P2 Pd2 S2 | P 1 21/c 1 | 17.934; 10.371; 25.392 90; 131.536; 90 | 3535.2 | Cai, Zhengguo; Shen, Zhongliang; Zhou, Xiaoyuan; Jordan, Richard F. Enhancement of Chain Growth and Chain Transfer Rates in Ethylene Polymerization by (Phosphine-sulfonate)PdMe Catalysts by Binding of B(C6F5)3to the Sulfonate Group ACS Catalysis, 2012, 2, 1187 |
4506121 | CIF | C58 H61 B F15 O4 P Pd S | C 1 2/c 1 | 36.529; 13.21; 24.939 90; 100.456; 90 | 11834 | Cai, Zhengguo; Shen, Zhongliang; Zhou, Xiaoyuan; Jordan, Richard F. Enhancement of Chain Growth and Chain Transfer Rates in Ethylene Polymerization by (Phosphine-sulfonate)PdMe Catalysts by Binding of B(C6F5)3to the Sulfonate Group ACS Catalysis, 2012, 2, 1187 |
4506122 | CIF | C56 H48 Cl12 N4 O18 Rh2 | I 2 3 | 37.1893; 37.1893; 37.1893 90; 90; 90 | 51434.4 | Lindsay, Vincent N. G.; Charette, André B. Design and Synthesis of Chiral Heteroleptic Rhodium(II) Carboxylate Catalysts: Experimental Investigation of Halogen Bond Rigidification Effects in Asymmetric Cyclopropanation ACS Catalysis, 2012, 2, 1221 |
4506582 | CIF | C21 H27 N O3 Si | P 1 21 1 | 11.7148; 6.9828; 13.444 90; 114.935; 90 | 997.24 | Min, Taewoo; Fettinger, James C.; Franz, Annaliese K. Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst ACS Catalysis, 2012, 2, 1661 |
4506583 | CIF | C23 H32 F3 N O4 S Si | P 21 21 21 | 8.52; 8.5557; 33.4637 90; 90; 90 | 2439.32 | Min, Taewoo; Fettinger, James C.; Franz, Annaliese K. Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst ACS Catalysis, 2012, 2, 1661 |
4506584 | CIF | C27 H39 N O3 Si | P 21 21 21 | 12.6433; 13.8501; 14.684 90; 90; 90 | 2571.33 | Min, Taewoo; Fettinger, James C.; Franz, Annaliese K. Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst ACS Catalysis, 2012, 2, 1661 |
4506585 | CIF | C16 H20 Cl N O Si | P 21 21 21 | 7.5343; 8.5707; 25.2748 90; 90; 90 | 1632.1 | Min, Taewoo; Fettinger, James C.; Franz, Annaliese K. Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst ACS Catalysis, 2012, 2, 1661 |
4506586 | CIF | C11 H8 Br N3 O3 | P 1 21 1 | 9.4259; 5.1093; 12.799 90; 110.279; 90 | 578.19 | Li, Wenjun; Liu, Hui; Jiang, Xuefeng; Wang, Jian Enantioselective Organocatalytic Conjugate Addition of Nitroalkanes to Electrophilic 2-Iminochromenes ACS Catalysis, 2012, 2, 1535 |
4506587 | CIF | C62 H70 Fe2 N16 O2 | C 1 2/c 1 | 31.222; 17.025; 23.69 90; 101.133; 90 | 12356 | Yu, Renyuan Pony; Darmon, Jonathan M.; Hoyt, Jordan M.; Margulieux, Grant W.; Turner, Zoë R.; Chirik, Paul J. High-Activity Iron Catalysts for the Hydrogenation of Hindered, Unfunctionalized Alkenes ACS Catalysis, 2012, 2, 1760 |
4506588 | CIF | C29 H29 Fe N9 | P 1 21/c 1 | 15.7139; 10.318; 17.0218 90; 98.758; 90 | 2727.7 | Yu, Renyuan Pony; Darmon, Jonathan M.; Hoyt, Jordan M.; Margulieux, Grant W.; Turner, Zoë R.; Chirik, Paul J. High-Activity Iron Catalysts for the Hydrogenation of Hindered, Unfunctionalized Alkenes ACS Catalysis, 2012, 2, 1760 |
4507135 | CIF | C39 H21 Ag3 F18 N6 | P -1 | 9.7393; 13.5428; 16.9533 94.039; 104.186; 109.322 | 2017.54 | Flores, Jaime A.; Komine, Nobuyuki; Pal, Kuntal; Pinter, Balazs; Pink, Maren; Chen, Chun-Hsing; Caulton, Kenneth G.; Mindiola, Daniel J. Silver(I)-Catalyzed Insertion of Carbene into Alkane C‒H Bonds and the Origin of the Special Challenge of Methane Activation Using DFT as a Mechanistic Probe ACS Catalysis, 2012, 2, 2066 |
4507136 | CIF | C31 H31 Cl3 Cr N4 P | P b c a | 11.2332; 16.7375; 33.095 90; 90; 90 | 6222.4 | Sydora, Orson L.; Jones, Thomas C.; Small, Brooke L.; Nett, Alex J.; Fischer, Anne A.; Carney, Michael J. Selective Ethylene Tri-/Tetramerization Catalysts ACS Catalysis, 2012, 2, 2452 |
4507137 | CIF | C23 H26 Cl3 Cr N3 P | P n a 21 | 11.5487; 14.419; 15.38 90; 90; 90 | 2561.1 | Sydora, Orson L.; Jones, Thomas C.; Small, Brooke L.; Nett, Alex J.; Fischer, Anne A.; Carney, Michael J. Selective Ethylene Tri-/Tetramerization Catalysts ACS Catalysis, 2012, 2, 2452 |
4507138 | CIF | C33 H40 Cl3 F3 N2 O3 Ru S | P -1 | 10.788; 12.131; 16.206 89.72; 71.49; 64.83 | 1799.1 | Schreiber, Dominique F.; O’Connor, Crystal; Grave, Christian; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D. Application of β-Diketiminato Arene-Substituted Ru(II) Complexes in Highly Efficient H2Dehydrocoupling of Amine Boranes ACS Catalysis, 2012, 2, 2505 |
4507139 | CIF | C35 H44 Cl3 F3 N2 O3 Ru S | P 1 21/c 1 | 13.3963; 12.4531; 23.0725 90; 106.164; 90 | 3696.92 | Schreiber, Dominique F.; O’Connor, Crystal; Grave, Christian; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D. Application of β-Diketiminato Arene-Substituted Ru(II) Complexes in Highly Efficient H2Dehydrocoupling of Amine Boranes ACS Catalysis, 2012, 2, 2505 |
4507140 | CIF | C29.91 H29 Cl0.09 F2.73 N2 O2.73 Ru S0.91 | P -1 | 13.411; 14.9649; 18.0317 98.982; 96.074; 108.632 | 3340 | Schreiber, Dominique F.; O’Connor, Crystal; Grave, Christian; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D. Application of β-Diketiminato Arene-Substituted Ru(II) Complexes in Highly Efficient H2Dehydrocoupling of Amine Boranes ACS Catalysis, 2012, 2, 2505 |
4507141 | CIF | C28 H34 N2 Ru | P 1 21 1 | 7.7447; 12.5622; 12.1814 90; 94.917; 90 | 1180.77 | Schreiber, Dominique F.; O’Connor, Crystal; Grave, Christian; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D. Application of β-Diketiminato Arene-Substituted Ru(II) Complexes in Highly Efficient H2Dehydrocoupling of Amine Boranes ACS Catalysis, 2012, 2, 2505 |
4507142 | CIF | C51 H48 B F25 N P2 Rh | P 1 21/c 1 | 17.2281; 17.5318; 18.888 90; 104.533; 90 | 5522.39 | Pernik, Indrek; Hooper, Joel F.; Chaplin, Adrian B.; Weller, Andrew S.; Willis, Michael C. Exploring Small Bite-Angle Ligands for the Rhodium-Catalyzed Intermolecular Hydroacylation of β-S-Substituted Aldehydes with 1-Octene and 1-Octyne ACS Catalysis, 2012, 2, 2779 |
4507143 | CIF | C53 H51 B F24 N O P2 Rh S | P -1 | 12.2384; 15.4948; 17.5543 103.603; 109.864; 98.834 | 2942.02 | Pernik, Indrek; Hooper, Joel F.; Chaplin, Adrian B.; Weller, Andrew S.; Willis, Michael C. Exploring Small Bite-Angle Ligands for the Rhodium-Catalyzed Intermolecular Hydroacylation of β-S-Substituted Aldehydes with 1-Octene and 1-Octyne ACS Catalysis, 2012, 2, 2779 |
4507144 | CIF | C57 H52 B F26 P2 Rh | P 43 | 13.1403; 13.1403; 34.4622 90; 90; 90 | 5950.5 | Pernik, Indrek; Hooper, Joel F.; Chaplin, Adrian B.; Weller, Andrew S.; Willis, Michael C. Exploring Small Bite-Angle Ligands for the Rhodium-Catalyzed Intermolecular Hydroacylation of β-S-Substituted Aldehydes with 1-Octene and 1-Octyne ACS Catalysis, 2012, 2, 2779 |
4507145 | CIF | C52 H49 B F25 P2 Rh | P 1 21/c 1 | 17.7994; 17.3901; 19.0524 90; 109.328; 90 | 5564.97 | Pernik, Indrek; Hooper, Joel F.; Chaplin, Adrian B.; Weller, Andrew S.; Willis, Michael C. Exploring Small Bite-Angle Ligands for the Rhodium-Catalyzed Intermolecular Hydroacylation of β-S-Substituted Aldehydes with 1-Octene and 1-Octyne ACS Catalysis, 2012, 2, 2779 |
4507146 | CIF | C59 H56 B F26 P2 Rh | P -1 | 12.6572; 13.247; 19.6804 104.275; 106.494; 91.3854 | 3050.53 | Pernik, Indrek; Hooper, Joel F.; Chaplin, Adrian B.; Weller, Andrew S.; Willis, Michael C. Exploring Small Bite-Angle Ligands for the Rhodium-Catalyzed Intermolecular Hydroacylation of β-S-Substituted Aldehydes with 1-Octene and 1-Octyne ACS Catalysis, 2012, 2, 2779 |
4507147 | CIF | C63 H64 B F25 N P2 Rh | P 1 21/c 1 | 13.8162; 18.0951; 26.4511 90; 92.0377; 90 | 6608.74 | Pernik, Indrek; Hooper, Joel F.; Chaplin, Adrian B.; Weller, Andrew S.; Willis, Michael C. Exploring Small Bite-Angle Ligands for the Rhodium-Catalyzed Intermolecular Hydroacylation of β-S-Substituted Aldehydes with 1-Octene and 1-Octyne ACS Catalysis, 2012, 2, 2779 |
4507148 | CIF | C39 H51 Cu N2 O | P 1 21/n 1 | 12.747; 14.427; 19.799 90; 96.74; 90 | 3615.9 | Pouy, Mark J.; Delp, Samuel A.; Uddin, Jamal; Ramdeen, Vijay M.; Cochrane, Nikki A.; Fortman, George C.; Gunnoe, T. Brent; Cundari, Thomas R.; Sabat, Michal; Myers, William H. Intramolecular Hydroalkoxylation and Hydroamination of Alkynes Catalyzed by Cu(I) Complexes Supported byN-Heterocyclic Carbene Ligands ACS Catalysis, 2012, 2, 2182 |
4507149 | CIF | C19 H18 Co O4 P | P n a 21 | 14.5719; 17.2445; 7.3877 90; 90; 90 | 1856.4 | Birbeck, James M.; Haynes, Anthony; Adams, Harry; Damoense, Llewellyn; Otto, Stefanus Ligand Effects on Reactivity of Cobalt Acyl Complexes ACS Catalysis, 2012, 2, 2512 |
4507150 | CIF | C16 H25 Co O3 P | P -1 | 9.0646; 9.2649; 11.4599 94.012; 108.645; 109.326 | 843.74 | Birbeck, James M.; Haynes, Anthony; Adams, Harry; Damoense, Llewellyn; Otto, Stefanus Ligand Effects on Reactivity of Cobalt Acyl Complexes ACS Catalysis, 2012, 2, 2512 |
4507151 | CIF | C32 H50 Co2 O6 P2 | P 1 21/n 1 | 12.6461; 9.7325; 14.7834 90; 110.949; 90 | 1699.24 | Birbeck, James M.; Haynes, Anthony; Adams, Harry; Damoense, Llewellyn; Otto, Stefanus Ligand Effects on Reactivity of Cobalt Acyl Complexes ACS Catalysis, 2012, 2, 2512 |
4507431 | CIF | C192 H144 Cu4 N28 O12 | A b a 2 | 26.531; 29.2825; 21.2848 90; 90; 90 | 16536 | He, Qi-Ting; Li, Xiang-Ping; Chen, Lian-Fen; Zhang, Li; Wang, Wei; Su, Cheng-Yong Nanosized Coordination Cages Incorporating Multiple Cu(I) Reactive Sites: Host‒Guest Modulated Catalytic Activity ACS Catalysis, 2013, 3, 1 |
4507432 | CIF | C100 H80 Cu4 N20 O22 | P -1 | 13.373; 13.767; 14.926 104.973; 103.729; 109.545 | 2338.2 | He, Qi-Ting; Li, Xiang-Ping; Chen, Lian-Fen; Zhang, Li; Wang, Wei; Su, Cheng-Yong Nanosized Coordination Cages Incorporating Multiple Cu(I) Reactive Sites: Host‒Guest Modulated Catalytic Activity ACS Catalysis, 2013, 3, 1 |
4507433 | CIF | C46 H50 Cl2 F5 N3 O3 Ru | P 1 21/n 1 | 24.2414; 12.5158; 30.0577 90; 106.816; 90 | 8729.6 | Nelson, David J.; Queval, Pierre; Rouen, Mathieu; Magrez, Magaly; Toupet, Loïc; Caijo, Frédéric; Borré, Etienne; Laurent, Isabelle; Crévisy, Christophe; Baslé, Olivier; Mauduit, Marc; Percy, Jonathan M. Synergic Effects Between N-Heterocyclic Carbene and Chelating Benzylidene‒Ether Ligands Toward the Initiation Step of Hoveyda‒Grubbs Type Ru Complexes ACS Catalysis, 2013, 3, 259-264 |
4507438 | CIF | C14 H8 Br Fe2 N O6 S2 | P -1 | 7.6922; 10.824; 11.227 74.383; 86.307; 80.513 | 887.7 | Dey, Subal; Rana, Atanu; Dey, Somdatta Ghosh; Dey, Abhishek Electrochemical Hydrogen Production in Acidic Water by an Azadithiolate Bridged Synthetic Hydrogenese Mimic: Role of Aqueous Solvation in Lowering Overpotential ACS Catalysis, 2013, 3, 429 |
4507767 | CIF | C20 H18 N2 O3 | P 1 21/n 1 | 10.5224; 8.7192; 20.0164 90; 102.322; 90 | 1794.1 | Zhang, Xiao-Nan; Shi, Min Phosphine-Catalyzed [3 + 2] Cycloaddition of 4,4-Dicyano-2-methylenebut-3-enoates with Benzyl Buta-2,3-dienoate and Penta-3,4-dien-2-one ACS Catalysis, 2013, 3, 507 |
4507768 | CIF | C11 H13 F3 N2 O7 | P 21 21 21 | 6.0338; 7.3229; 32.512 90; 90; 90 | 1436.5 | Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides ACS Catalysis, 2013, 3, 502 |
4507769 | CIF | C10 H11 F3 O4 | P 1 21 1 | 5.2612; 8.0356; 26.8522 90; 90.009; 90 | 1135.23 | Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides ACS Catalysis, 2013, 3, 502 |
4507770 | CIF | C7 H10 F3 N O3 | P 43 21 2 | 7.0694; 7.0694; 35.24 90; 90; 90 | 1761.2 | Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides ACS Catalysis, 2013, 3, 502 |
4507771 | CIF | C8 H12 F3 N O3 | P 21 21 21 | 6.4729; 7.3947; 21.763 90; 90; 90 | 1041.7 | Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides ACS Catalysis, 2013, 3, 502 |
4507772 | CIF | C12 H12 F3 N O3 S | P 1 | 5.1139; 6.3453; 11.289 82.575; 79.056; 68.124 | 333.07 | Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides ACS Catalysis, 2013, 3, 502 |
4507773 | CIF | C19 H19 Cl2 N O2 S | P -1 | 7.077; 7.792; 17.241 83.163; 83.039; 75.993 | 911.7 | Cheng, Jiajia; Tang, Xinjun; Ma, Shengming Highly Selective FeCl3-Catalyzed Cyclization of β-Sulfonamidoallenes or β-Allenols and Aldehydes ACS Catalysis, 2013, 3, 663 |
4507774 | CIF | C16 H22 Cl N O2 S | P b c a | 14.8823; 15.0709; 15.0819 90; 90; 90 | 3382.7 | Cheng, Jiajia; Tang, Xinjun; Ma, Shengming Highly Selective FeCl3-Catalyzed Cyclization of β-Sulfonamidoallenes or β-Allenols and Aldehydes ACS Catalysis, 2013, 3, 663 |
4507775 | CIF | C22 H18 Br N O4 S | P 21 21 21 | 8.6638; 10.6945; 21.769 90; 90; 90 | 2017 | Jia, Min-Qiang; You, Shu-Li N-Heterocyclic Carbene-Catalyzed Enantioselective Intramolecular N-Tethered Aldehyde‒Ketone Benzoin Reactions ACS Catalysis, 2013, 3, 622 |
4507776 | CIF | C13 H15 N O2 | P -1 | 6.5346; 8.803; 10.4461 85.089; 75.857; 68.462 | 542 | Baronsky, Thilo; Beattie, Christopher; Harrington, Ross W.; Irfan, Reyhan; North, Michael; Osende, Javier G.; Young, Carl Bimetallic Aluminum(salen) Catalyzed Synthesis of Oxazolidinones from Epoxides and Isocyanates ACS Catalysis, 2013, 3, 790 |
4507881 | CIF | C60 H52 Cl2 F12 N10 O4 P2 Ru2 | C 1 2/c 1 | 19.5432; 27.2305; 23.3159 90; 99.748; 90 | 12228.9 | Aiki, Shota; Kijima, Yuhei; Kuwabara, Junpei; Taketoshi, Ayako; Koizumi, Take-aki; Akine, Shigehisa; Kanbara, Takaki Ligand Modification of Cyclometalated Ruthenium Complexes in the Aerobic Oxidative Dehydrogenation of Imidazolines ACS Catalysis, 2013, 3, 812 |
4507882 | CIF | C30 H27 Cl F6 N4 O2 P Ru | P 1 21/n 1 | 11.4748; 22.961; 11.4873 90; 95.161; 90 | 3014.3 | Aiki, Shota; Kijima, Yuhei; Kuwabara, Junpei; Taketoshi, Ayako; Koizumi, Take-aki; Akine, Shigehisa; Kanbara, Takaki Ligand Modification of Cyclometalated Ruthenium Complexes in the Aerobic Oxidative Dehydrogenation of Imidazolines ACS Catalysis, 2013, 3, 812 |
4507883 | CIF | C29 H34 Cl F9 N5 P Ru | P 1 21/n 1 | 8.6237; 30.965; 11.965 90; 109.38; 90 | 3014 | Aiki, Shota; Kijima, Yuhei; Kuwabara, Junpei; Taketoshi, Ayako; Koizumi, Take-aki; Akine, Shigehisa; Kanbara, Takaki Ligand Modification of Cyclometalated Ruthenium Complexes in the Aerobic Oxidative Dehydrogenation of Imidazolines ACS Catalysis, 2013, 3, 812 |
4508109 | CIF | C25 H20 Br N6 O4 Re | P 1 21/n 1 | 11.6786; 19.4125; 11.7398 90; 104.932; 90 | 2571.7 | Andrade, Gabriel A.; Pistner, Allen J.; Yap, Glenn P. A.; Lutterman, Daniel A.; Rosenthal, Joel Photocatalytic Conversion of CO2to CO Using Rhenium Bipyridine Platforms Containing Ancillary Phenyl or BODIPY Moieties ACS Catalysis, 2013, 3, 1685 |
4508110 | CIF | C44 H72 O4 S2 V | P 1 21/c 1 | 14.843; 16.907; 17.478 90; 93.767; 90 | 4376.6 | Toda, Tomoyuki; Nakata, Norio; Matsuo, Tsukasa; Ishii, Akihiko Synthesis, Structure, and 1-Hexene Polymerization Catalytic Ability of Group 5 Metal Complexes Incorporating an [OSSO]-Type Ligand ACS Catalysis, 2013, 3, 1764 |
4508111 | CIF | C56 H70 Cl3 Nb O2 S2 | P 1 21/c 1 | 17.747; 15.722; 19.957 90; 103.391; 90 | 5417 | Toda, Tomoyuki; Nakata, Norio; Matsuo, Tsukasa; Ishii, Akihiko Synthesis, Structure, and 1-Hexene Polymerization Catalytic Ability of Group 5 Metal Complexes Incorporating an [OSSO]-Type Ligand ACS Catalysis, 2013, 3, 1764 |
4508112 | CIF | C44 H64 Cl3 O2 S2 Ta | P 1 21 1 | 14.0634; 11.496; 14.0371 90; 101.661; 90 | 2222.6 | Toda, Tomoyuki; Nakata, Norio; Matsuo, Tsukasa; Ishii, Akihiko Synthesis, Structure, and 1-Hexene Polymerization Catalytic Ability of Group 5 Metal Complexes Incorporating an [OSSO]-Type Ligand ACS Catalysis, 2013, 3, 1764 |
4508355 | CIF | C44 H70 Cl5 Co N4 O2 | C 1 2/c 1 | 39.868; 11.8049; 19.788 90; 93.947; 90 | 9290.9 | Belokon, Yuri N.; Maleev, Victor I.; North, Michael; Larionov, Vladimir A.; Savel’yeva, Tat’yana F.; Nijland, Aike; Nelyubina, Yuliya V. Chiral Octahedral Complexes of CoIIIAs a Family of Asymmetric Catalysts Operating under Phase Transfer Conditions ACS Catalysis, 2013, 1951 |
4508356 | CIF | C25 H25 Cl1.25 Co1.25 N5 O2.5 | P 21 21 21 | 34.074; 10.4676; 13.8502 90; 90; 90 | 4940 | Belokon, Yuri N.; Maleev, Victor I.; North, Michael; Larionov, Vladimir A.; Savel’yeva, Tat’yana F.; Nijland, Aike; Nelyubina, Yuliya V. Chiral Octahedral Complexes of CoIIIAs a Family of Asymmetric Catalysts Operating under Phase Transfer Conditions ACS Catalysis, 2013, 1951 |
4508362 | CIF | C18 H28 Cl2 F6 Ir N2 O2 P | P 1 21/c 1 | 12.129; 11.4374; 17.545 90; 95.165; 90 | 2424 | Lehman, Matthew C.; Gary, J. Brannon; Boyle, Paul D.; Sanford, Melanie S.; Ison, Elon A. Effect of Solvent and Ancillary Ligands on the Catalytic H/D Exchange Reactivity of Cp*IrIII(L) Complexes ACS Catalysis, 2013, 3, 2304 |
4508363 | CIF | C32 H50 F6 Ir2 N4 O7 S2 | P -1 | 10.982; 13.584; 15.035 95.693; 108.315; 110.76 | 1934.2 | Lehman, Matthew C.; Gary, J. Brannon; Boyle, Paul D.; Sanford, Melanie S.; Ison, Elon A. Effect of Solvent and Ancillary Ligands on the Catalytic H/D Exchange Reactivity of Cp*IrIII(L) Complexes ACS Catalysis, 2013, 3, 2304 |
4508364 | CIF | C49 H45 Cl3 Mo N4 O2 P2 Zn | P 1 21/c 1 | 20.0576; 14.3652; 17.229 90; 95.415; 90 | 4942.06 | Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation ACS Catalysis, 2013, 3, 2208 |
4508365 | CIF | C153 H110 B2 F48 Mo2 N8 O4 P4 | P -1 | 12.4979; 15.4233; 19.774 88.382; 81.163; 87.527 | 3761.96 | Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation ACS Catalysis, 2013, 3, 2208 |
4508366 | CIF | C151 H103 B2 Cl3 F48 Mo2 N4 O4 P4 | P -1 | 16.0776; 17.0716; 18.0135 105.257; 115.011; 98.938 | 4116.7 | Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation ACS Catalysis, 2013, 3, 2208 |
4508367 | CIF | C45 H36 Cl Mo N O4 P2 | P 1 21/c 1 | 11.5883; 13.8586; 24.9475 90; 101.155; 90 | 3930.82 | Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation ACS Catalysis, 2013, 3, 2208 |
4508368 | CIF | C82 H84 Cl2 Mo2 N2 O5 P6 | P 1 21/n 1 | 10.2639; 21.2569; 18.332 90; 105.192; 90 | 3859.88 | Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation ACS Catalysis, 2013, 3, 2208 |
4508369 | CIF | C54 H43 Cl Mo N O2 P3 | P 1 21/n 1 | 19.3956; 12.6738; 20.4746 90; 114.639; 90 | 4574.74 | Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation ACS Catalysis, 2013, 3, 2208 |
4508370 | CIF | C23 H39 Ir O3 P2 | P -1 | 8.288; 11.99; 13.424 100.742; 95.96; 103.708 | 1257.9 | Lao, David B.; Owens, Alisa C. E.; Heinekey, D. Michael; Goldberg, Karen I. Partial Deoxygenation of Glycerol Catalyzed by Iridium Pincer Complexes ACS Catalysis, 2013, 3, 2391 |
4508371 | CIF | C55 H52 B F24 Ir O3 P2 | C 1 2/c 1 | 16.707; 18.088; 39.933 90; 96.48; 90 | 11991 | Lao, David B.; Owens, Alisa C. E.; Heinekey, D. Michael; Goldberg, Karen I. Partial Deoxygenation of Glycerol Catalyzed by Iridium Pincer Complexes ACS Catalysis, 2013, 3, 2391 |
4508372 | CIF | C36 H47 N3 Zn | P 1 21/n 1 | 12.4548; 12.8516; 20.4735 90; 93.992; 90 | 3269.12 | Boone, Courtney; Korobkov, Ilia; Nikonov, Georgii I. Unexpected Role of Zinc Hydride in Catalytic Hydrosilylation of Ketones and Nitriles ACS Catalysis, 2013, 3, 2336 |
4508373 | CIF | C24 H40 N2 O3 P Ru | C 1 2/c 1 | 32.0382; 11.1091; 16.1622 90; 118.402; 90 | 5060 | Huff, Chelsea A.; Sanford, Melanie S. Catalytic CO2Hydrogenation to Formate by a Ruthenium Pincer Complex ACS Catalysis, 2013, 3, 2412 |
4508374 | CIF | C34 H30 Cr O4 P2 | P b c a | 18.625; 20.786; 32.239 90; 90; 90 | 12481 | Zhang, Jun; Wang, Xiao; Zhang, Xuejun; Wu, Weijie; Zhang, Gengtao; Xu, Sheng; Shi, Min Switchable Ethylene Tri-/Tetramerization with High Activity: Subtle Effect Presented by Backbone-Substituent of Carbon-Bridged Diphosphine Ligands ACS Catalysis, 2013, 3, 2311 |
4508375 | CIF | C16 H27 Ir O5 S | P b c a | 9.218; 16.424; 24.589 90; 90; 90 | 3722.7 | Frasco, Daniel A.; Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A. Cp*IrIII-Catalyzed Oxidative Coupling of Benzoic Acids with Alkynes ACS Catalysis, 2013, 3, 2421 |
4508376 | CIF | C16 H21 F6 Ir O5 S | P 21 21 21 | 9.08; 14.954; 15.588 90; 90; 90 | 2116.6 | Frasco, Daniel A.; Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A. Cp*IrIII-Catalyzed Oxidative Coupling of Benzoic Acids with Alkynes ACS Catalysis, 2013, 3, 2421 |
4508377 | CIF | C19 H24 Ir N O5 S | P 1 21/c 1 | 8.2462; 14.311; 16.825 90; 103.277; 90 | 1932.5 | Frasco, Daniel A.; Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A. Cp*IrIII-Catalyzed Oxidative Coupling of Benzoic Acids with Alkynes ACS Catalysis, 2013, 3, 2421 |
4508378 | CIF | C19 H24 Cl Ir O3 S | P 1 21/c 1 | 19.779; 8.4715; 30.216 90; 128.931; 90 | 3938.5 | Frasco, Daniel A.; Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A. Cp*IrIII-Catalyzed Oxidative Coupling of Benzoic Acids with Alkynes ACS Catalysis, 2013, 3, 2421 |
4508379 | CIF | C44 H36 Cu4 F12 N8 O16 S4 | P 1 21/c 1 | 25.452; 13.8983; 15.856 90; 104.624; 90 | 5427.2 | Hoover, Jessica M.; Ryland, Bradford L.; Stahl, Shannon S. Copper/TEMPO-Catalyzed Aerobic Alcohol Oxidation: Mechanistic Assessment of Different Catalyst Systems ACS Catalysis, 2013, 3, 2599 |
4508380 | CIF | C32 H28 N2 O5 | P -1 | 9.231; 10.439; 15.222 92.356; 94.503; 113.508 | 1336.7 | Hao, Wen-Juan; Wang, Shun-Yi; Ji, Shun-Jun Iodine-Catalyzed Cascade Formal [3 + 3] Cycloaddition Reaction of Indolyl Alcohol Derivatives with Enaminones: Constructions of Functionalized Spirodihydrocarbolines ACS Catalysis, 2013, 3, 2501 |
4508381 | CIF | C31 H24 N3 O5.5 | C 1 2/c 1 | 15.715; 22.582; 16.682 90; 102.4; 90 | 5781.9 | Hao, Wen-Juan; Wang, Shun-Yi; Ji, Shun-Jun Iodine-Catalyzed Cascade Formal [3 + 3] Cycloaddition Reaction of Indolyl Alcohol Derivatives with Enaminones: Constructions of Functionalized Spirodihydrocarbolines ACS Catalysis, 2013, 3, 2501 |
4508603 | CIF | C15 H10 Cl N O2 | P 1 21/n 1 | 3.9967; 25.9143; 12.3646 90; 95.947; 90 | 1273.73 | Han, Runfeng; Qi, Jing; Gu, Jixiang; Ma, Donghui; Xie, Xingang; She, Xuegong N-Heterocyclic Carbene-Catalyzed Formal [3+2] Annulation of Alkynyl Aldehydes with Nitrosobenzenes: A Highly Regioselective Umpolung Strategy ACS Catalysis, 2013, 3, 2705 |
4508604 | CIF | C70 H102 N4 O2 Rh2 | P -1 | 11.021; 11.519; 14.052 68.604; 73.514; 74.287 | 1564.5 | Palacios, Laura; Artigas, Maria Jose; Polo, Victor; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A. Hydroxo‒Rhodium‒N-Heterocyclic Carbene Complexes as Efficient Catalyst Precursors for Alkyne Hydrothiolation ACS Catalysis, 2013, 3, 2910 |
4508605 | CIF | C18 H21 N O2 | C 1 2 1 | 22.6541; 8.25169; 17.39574 90; 107.371; 90 | 3103.55 | Goubert, Guillaume; Demers-Carpentier, Vincent; Loach, Richard P.; Lafleur-Lambert, Raphaél; Lemay, Jean-Christian; Boukouvalas, John; McBreen, Peter H. Aminolactone Chiral Modifiers for Heterogeneous Asymmetric Hydrogenation: Corrected Structure of Pantoyl-Naphthylethylamine, In-Situ Hydrogenolysis, and Scanning Tunneling Microscopy Observation of Supramolecular Aminolactone/Substrate Assemblies on Pt(111) ACS Catalysis, 2013, 3, 2677 |
4508606 | CIF | C13 H21 Au Cl N3 O5 S | C 1 2/c 1 | 28.7265; 8.8069; 14.8574 90; 95.337; 90 | 3742.5 | Tomás-Mendivil, Eder; Toullec, Patrick Y.; Borge, Javier; Conejero, Salvador; Michelet, Véronique; Cadierno, Victorio Water-Soluble Gold(I) and Gold(III) Complexes with SulfonatedN-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Application in the Catalytic Cycloisomerization of γ-Alkynoic Acids into Enol-Lactones ACS Catalysis, 2013, 3, 3086 |
4508607 | CIF | C14 H21 Au Cl3 N3 O4 S2 | C 1 2/c 1 | 25.769; 11.48; 18.59 90; 107.214; 90 | 5253 | Tomás-Mendivil, Eder; Toullec, Patrick Y.; Borge, Javier; Conejero, Salvador; Michelet, Véronique; Cadierno, Victorio Water-Soluble Gold(I) and Gold(III) Complexes with SulfonatedN-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Application in the Catalytic Cycloisomerization of γ-Alkynoic Acids into Enol-Lactones ACS Catalysis, 2013, 3, 3086 |
4508608 | CIF | C14.5 H20 Au Cl3 N3 O3.5 S | P 1 2/c 1 | 24.0394; 8.8925; 21.0847 90; 116.022; 90 | 4050.36 | Tomás-Mendivil, Eder; Toullec, Patrick Y.; Borge, Javier; Conejero, Salvador; Michelet, Véronique; Cadierno, Victorio Water-Soluble Gold(I) and Gold(III) Complexes with SulfonatedN-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Application in the Catalytic Cycloisomerization of γ-Alkynoic Acids into Enol-Lactones ACS Catalysis, 2013, 3, 3086 |
4508609 | CIF | C12 H14 Au Cl2 N3 O3 S | P 1 21/n 1 | 9.717; 12.6841; 13.5632 90; 108.02; 90 | 1589.68 | Tomás-Mendivil, Eder; Toullec, Patrick Y.; Borge, Javier; Conejero, Salvador; Michelet, Véronique; Cadierno, Victorio Water-Soluble Gold(I) and Gold(III) Complexes with SulfonatedN-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Application in the Catalytic Cycloisomerization of γ-Alkynoic Acids into Enol-Lactones ACS Catalysis, 2013, 3, 3086 |
4509833 | CIF | C22 H24 N2 O6 | P 65 | 9.8241; 9.8241; 37.0024 90; 90; 120 | 3092.76 | Barber, David M.; Duriš, Andrej; Thompson, Amber L.; Sanganee, Hitesh J.; Dixon, Darren J. One-Pot Asymmetric Nitro-Mannich/Hydroamination Cascades for the Synthesis of Pyrrolidine Derivatives: Combining Organocatalysis and Gold Catalysis. ACS catalysis, 2014, 4, 634-638 |
4509834 | CIF | C34 H30 Cl N O4 S | P 1 21/c 1 | 13.489; 19.154; 12.366 90; 116.81; 90 | 2851.5 | Li, Erqing; Jia, Penghao; Liang, Ling; Huang, You Phosphine-Catalyzed Sequential [2 +3] and [3 + 2] Annulation Domino Reaction of γ-Benzyl-Substituted Allenoates with α,β-Unsaturated Ketimines To Construct aza-Bicyclo[3,3,0]octane Derivatives ACS Catalysis, 2014, 4, 600 |
4509835 | CIF | C15.5 H19 I Ir N O2 | P 1 21/c 1 | 9.0412; 31.3975; 12.3426 90; 96.356; 90 | 3482.2 | Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation ACS Catalysis, 2014, 4, 152 |
4509836 | CIF | C14 H23 Cl Ir N O2 | P -1 | 9.1576; 11.2916; 16.2687 99.653; 91.159; 91.704 | 1657.2 | Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation ACS Catalysis, 2014, 4, 152 |
4509837 | CIF | C42 H63 F9 Ir3 N3 O16 S3 | P 21 21 21 | 12.8738; 16.382; 26.73 90; 90; 90 | 5637.3 | Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation ACS Catalysis, 2014, 4, 152 |
4509838 | CIF | C15 H22 F3 Ir N2 O5 S | C 1 2/c 1 | 26.456; 8.5874; 21.4517 90; 121.888; 90 | 4138.1 | Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation ACS Catalysis, 2014, 4, 152 |
4509839 | CIF | C14 H26 Cl Ir N2 O2 | P -1 | 8.9727; 10.0097; 10.1814 75.441; 78.89; 68.698 | 819.37 | Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation ACS Catalysis, 2014, 4, 152 |
4509840 | CIF | C10.5 H26 Cl2 Ir N3 O0.5 | P 1 21/c 1 | 10.3281; 13.3359; 24.1586 90; 94.1269; 90 | 3318.8 | Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation ACS Catalysis, 2014, 4, 152 |
4509841 | CIF | C6 H13 N O2 | P 1 21/n 1 | 8.3622; 9.0389; 9.9889 90; 105.24; 90 | 728.5 | Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation ACS Catalysis, 2014, 4, 152 |
4509842 | CIF | C42 H34 Cl6 O6 P2 Ru | P -1 | 9.915; 11.919; 20.194 97.563; 91.49; 112.378 | 2180 | Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A. Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions ACS Catalysis, 2014, 4, 311 |
4509843 | CIF | C76 H64 Na O30 P3 Ru6 | P -1 | 16.3958; 17.5531; 17.6055 101.46; 113.756; 107.585 | 4111.9 | Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A. Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions ACS Catalysis, 2014, 4, 311 |
4509844 | CIF | C42.2 H34 Cl0.3 O2.71 P2 Ru | P 1 21/c 1 | 17.7301; 12.3659; 18.3431 90; 102.999; 90 | 3918.6 | Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A. Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions ACS Catalysis, 2014, 4, 311 |
4509845 | CIF | C39 H32 O6 P2 Ru | P b c n | 19.0814; 10.8848; 15.6495 90; 90; 90 | 3250.4 | Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A. Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions ACS Catalysis, 2014, 4, 311 |
4509846 | CIF | C42 H32 O8 P2 Ru2 | P 1 21/n 1 | 13.2898; 19.8988; 14.5203 90; 94.197; 90 | 3829.6 | Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A. Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions ACS Catalysis, 2014, 4, 311 |
4509847 | CIF | C19 H22 Cl F N2 O | P -1 | 9.508; 9.679; 10.314 82.54; 74.65; 73.17 | 874.7 | Gu, Zheng-Yang; Zhu, Tong-Hao; Cao, Jia-Jia; Xu, Xiao-Ping; Wang, Shun-Yi; Ji, Shun-Jun Palladium-Catalyzed Cascade Reactions of Isocyanides with Enaminones: Synthesis of 4-Aminoquinoline Derivatives ACS Catalysis, 2014, 4, 49 |
4510029 | CIF | C19 H44 B2 F8 Ir N4 O2 P3 | P 21 21 21 | 12.4567; 14.2413; 18.0693 90; 90; 90 | 3205.5 | Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H. Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes ACS Catalysis, 2014, 4, 973 |
4510030 | CIF | C15 H21 B Cl F4 Ir N4 | P 1 21 1 | 8.4218; 10.3619; 10.7421 90; 102.256; 90 | 916.05 | Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H. Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes ACS Catalysis, 2014, 4, 973 |
4510031 | CIF | C36 H63 B Cl F4 Ir N4 O | P 1 21/c 1 | 13.9451; 22.7483; 13.5566 90; 112.44; 90 | 3974.9 | Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H. Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes ACS Catalysis, 2014, 4, 973 |
4510032 | CIF | C27 H53 B2 F8 Ir N4 O3 P2 | P 21 21 21 | 10.2065; 11.645; 30.295 90; 90; 90 | 3600.7 | Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H. Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes ACS Catalysis, 2014, 4, 973 |
4510033 | CIF | C24 H44 B2 F8 Ir N4 O P | P 1 21/c 1 | 10.6139; 10.4084; 27.7107 90; 96.783; 90 | 3039.9 | Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H. Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes ACS Catalysis, 2014, 4, 973 |
4510034 | CIF | C20 H45 B2 F8 Ir N4 P4 | P 1 21/c 1 | 15.4119; 10.641; 20.2231 90; 102.973; 90 | 3231.9 | Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H. Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes ACS Catalysis, 2014, 4, 973 |
4510035 | CIF | C28 H36 N Ni O P | P 1 21/c 1 | 10.6892; 27.0455; 9.0785 90; 108.475; 90 | 2489.28 | Stephenson, Casey J.; McInnis, Jennifer P.; Chen, Changle; Weberski, Michael P.; Motta, Alessandro; Delferro, Massimiliano; Marks, Tobin J. Ni(II) Phenoxyiminato Olefin Polymerization Catalysis: Striking Coordinative Modulation of Hyperbranched Polymer Microstructure and Stability by a Proximate Sulfonyl Group ACS Catalysis, 2014, 4, 999 |
4510036 | CIF | C53 H52 N2 Ni O6 S2 | C 1 c 1 | 16.4657; 18.901; 16.0566 90; 112.481; 90 | 4617.4 | Stephenson, Casey J.; McInnis, Jennifer P.; Chen, Changle; Weberski, Michael P.; Motta, Alessandro; Delferro, Massimiliano; Marks, Tobin J. Ni(II) Phenoxyiminato Olefin Polymerization Catalysis: Striking Coordinative Modulation of Hyperbranched Polymer Microstructure and Stability by a Proximate Sulfonyl Group ACS Catalysis, 2014, 4, 999 |
4510037 | CIF | C22 H32 N Ni O3 P S | P -1 | 10.1443; 10.6795; 11.1867 89.583; 69.987; 83.908 | 1131.76 | Stephenson, Casey J.; McInnis, Jennifer P.; Chen, Changle; Weberski, Michael P.; Motta, Alessandro; Delferro, Massimiliano; Marks, Tobin J. Ni(II) Phenoxyiminato Olefin Polymerization Catalysis: Striking Coordinative Modulation of Hyperbranched Polymer Microstructure and Stability by a Proximate Sulfonyl Group ACS Catalysis, 2014, 4, 999 |
4510383 | CIF | C19 H17 O4 P | P 1 21 1 | 8.8426; 7.5945; 12.9242 90; 90.186; 90 | 867.92 | Zhou, Yougui; Zhang, Xuepeng; Liang, Huiyi; Cao, Zhenkun; Zhao, Xiaoyu; He, Yuwei; Wang, Shouliang; Pang, Jiyan; Zhou, Zhongyuan; Ke, Zhuofeng; Qiu, Liqin Enantioselective Synthesis of Axially Chiral Biaryl Monophosphine Oxides via Direct Asymmetric Suzuki Coupling and DFT Investigations of the Enantioselectivity ACS Catalysis, 2014, 4, 1390 |
4510384 | CIF | C29 H21 O2 P | P 21 21 21 | 10.228; 20.6215; 21.8081 90; 90; 90 | 4599.69 | Zhou, Yougui; Zhang, Xuepeng; Liang, Huiyi; Cao, Zhenkun; Zhao, Xiaoyu; He, Yuwei; Wang, Shouliang; Pang, Jiyan; Zhou, Zhongyuan; Ke, Zhuofeng; Qiu, Liqin Enantioselective Synthesis of Axially Chiral Biaryl Monophosphine Oxides via Direct Asymmetric Suzuki Coupling and DFT Investigations of the Enantioselectivity ACS Catalysis, 2014, 4, 1390 |
4510477 | CIF | C36 H39 F6 Mn N4 O6.5 S2 | P 1 21 1 | 10.6617; 24.3076; 15.0889 90; 90.1235; 90 | 3910.44 | Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P. Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts ACS Catalysis, 2014, 4, 1599 |
4510478 | CIF | C30 H30 F6 Mn N4 O6 S2 | P 1 21 1 | 9.6677; 15.7748; 11.2312 90; 105.41; 90 | 1651.25 | Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P. Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts ACS Catalysis, 2014, 4, 1599 |
4510479 | CIF | C28 H38 F6 Mn N4 O8 S2 | P 21 21 2 | 17.4006; 17.4254; 11.0395 90; 90; 90 | 3347.3 | Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P. Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts ACS Catalysis, 2014, 4, 1599 |
4510480 | CIF | C26 H36 F6 Mn N6 O6 S2 | I 2 3 | 32.4626; 32.4626; 32.4626 90; 90; 90 | 34210 | Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P. Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts ACS Catalysis, 2014, 4, 1599 |
4510481 | CIF | C30 H44 F6 Mn N6 O6 S2 | P 1 21 1 | 8.6096; 19.9107; 11.0566 90; 110.506; 90 | 1775.26 | Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P. Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts ACS Catalysis, 2014, 4, 1599 |
4510813 | CIF | C115 H96 Cl25 N8 O8 Pd4 Ru2 S4 | P 1 21 1 | 15.433; 29.985; 15.798 90; 119.094; 90 | 6388.2 | Hellmuth, Tina; Rieckhoff, Stefan; Weiss, Marcel; Dorst, Konstantin; Frey, Wolfgang; Peters, René Cooperative Bimetallic Asymmetric Catalysis: Comparison of a Planar Chiral Ruthenocene Bis-Palladacycle to the Corresponding Ferrocene ACS Catalysis, 2014, 4, 1850 |
4510814 | CIF | C65 H56 Cl4 N4 O4 Pd2 Ru2 S2 | P 21 21 21 | 11.5116; 13.6607; 39.4718 90; 90; 90 | 6207.2 | Hellmuth, Tina; Rieckhoff, Stefan; Weiss, Marcel; Dorst, Konstantin; Frey, Wolfgang; Peters, René Cooperative Bimetallic Asymmetric Catalysis: Comparison of a Planar Chiral Ruthenocene Bis-Palladacycle to the Corresponding Ferrocene ACS Catalysis, 2014, 4, 1850 |
4510835 | CIF | C11 H18 N O2 Rh | P 21 21 21 | 10.3322; 10.5059; 10.5715 90; 90; 90 | 1147.53 | Walters, Annemarie J. C.; Jellema, Erica; Finger, Markus; Aarnoutse, Petra; Smits, Jan M. M.; Reek, Joost N. H.; de Bruin, Bas Rh-Mediated Carbene Polymerization: from Multistep Catalyst Activation to Alcohol-Mediated Chain-Transfer ACS Catalysis, 2012, 2, 246 |
4510836 | CIF | C35 H38 P Rh | C 1 2/c 1 | 32.151; 9.3724; 19.869 90; 107.394; 90 | 5713.4 | Walters, Annemarie J. C.; Jellema, Erica; Finger, Markus; Aarnoutse, Petra; Smits, Jan M. M.; Reek, Joost N. H.; de Bruin, Bas Rh-Mediated Carbene Polymerization: from Multistep Catalyst Activation to Alcohol-Mediated Chain-Transfer ACS Catalysis, 2012, 2, 246 |
4510837 | CIF | C14 H22 Cl2 N2 Ru | P 1 21/c 1 | 16.9808; 8.2512; 27.3173 90; 122.317; 90 | 3234.62 | Díez, Josefina; Gimeno, José; Lledós, Agustí; Suárez, Francisco J.; Vicent, Cristian Imidazole Based Ruthenium(IV) Complexes as Highly Efficient Bifunctional Catalysts for the Redox Isomerization of Allylic Alcohols in Aqueous Medium: Water as Cooperating Ligand ACS Catalysis, 2012, 2, 2087 |
4510838 | CIF | C17 H22 Cl2 N2 Ru | P b c a | 14.9645; 14.1657; 15.9196 90; 90; 90 | 3374.68 | Díez, Josefina; Gimeno, José; Lledós, Agustí; Suárez, Francisco J.; Vicent, Cristian Imidazole Based Ruthenium(IV) Complexes as Highly Efficient Bifunctional Catalysts for the Redox Isomerization of Allylic Alcohols in Aqueous Medium: Water as Cooperating Ligand ACS Catalysis, 2012, 2, 2087 |
4510839 | CIF | C13 H20 Cl2 N2 Ru | C 1 c 1 | 12.1026; 11.1887; 11.2215 90; 93.417; 90 | 1516.83 | Díez, Josefina; Gimeno, José; Lledós, Agustí; Suárez, Francisco J.; Vicent, Cristian Imidazole Based Ruthenium(IV) Complexes as Highly Efficient Bifunctional Catalysts for the Redox Isomerization of Allylic Alcohols in Aqueous Medium: Water as Cooperating Ligand ACS Catalysis, 2012, 2, 2087 |
4510942 | CIF | C30 H28 Br N3 Pd | C 1 2/c 1 | 35.108; 12.2811; 18.782 90; 140.71; 90 | 5128 | Sabater, Sara; Mata, Jose A.; Peris, Eduardo Catalyst Enhancement and Recyclability by Immobilization of Metal Complexes onto Graphene Surface by Noncovalent Interactions ACS Catalysis, 2014, 4, 2038 |
4511609 | CIF | C32 H34 Br0.56 Cl0.44 N5 O Ru | C 1 c 1 | 14.6916; 19.3357; 12.8728 90; 111.282; 90 | 3407.43 | Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A. Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties ACS Catalysis, 2014, 4, 2667 |
4511610 | CIF | C34 H37 B F4 N6 O Ru | P -1 | 10.2126; 12.2383; 16.6522 96.359; 100.516; 101.949 | 1977.96 | Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A. Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties ACS Catalysis, 2014, 4, 2667 |
4511611 | CIF | C35 H41 Br N6 O2 Ru | C 1 2/c 1 | 21.7318; 11.4791; 30.4353 90; 107.522; 90 | 7240.2 | Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A. Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties ACS Catalysis, 2014, 4, 2667 |
4511612 | CIF | C40 H49 Br N6 O Ru | P 1 21/n 1 | 13.7607; 17.3199; 18.3721 90; 108.243; 90 | 4158.6 | Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A. Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties ACS Catalysis, 2014, 4, 2667 |
4511613 | CIF | C40 H43 Br N6 O2 Ru | P 1 21/c 1 | 18.358; 14.6031; 14.0683 90; 93.583; 90 | 3764.1 | Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A. Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties ACS Catalysis, 2014, 4, 2667 |
4511614 | CIF | C60 H67 Br0.65 Cl0.35 N7 O P Ru | P -1 | 10.6089; 15.4581; 18.9255 70.365; 88.255; 84.453 | 2909.49 | Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A. Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties ACS Catalysis, 2014, 4, 2667 |
4511615 | CIF | C21 H29 N2 O3 P Ru | P -1 | 8.6291; 15.0143; 16.9802 88.131; 88.041; 86.19 | 2192.79 | Hu, Peng; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David Reusable Homogeneous Catalytic System for Hydrogen Production from Methanol and Water ACS Catalysis, 2014, 4, 2649 |
4511628 | CIF | C31 H34 N O6 P Pd S | P 1 21/c 1 | 15.784; 10.3015; 19.7923 90; 90.938; 90 | 3217.8 | Wucher, Philipp; Schwaderer, Judith B.; Mecking, Stefan Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer Insertion Copolymerization ACS Catalysis, 2014, 4, 2672 |
4511629 | CIF | C26 H26 N O5 P Pd S | P 1 21/c 1 | 9.5988; 8.6559; 29.9833 90; 106.094; 90 | 2393.6 | Wucher, Philipp; Schwaderer, Judith B.; Mecking, Stefan Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer Insertion Copolymerization ACS Catalysis, 2014, 4, 2672 |
4511630 | CIF | C48 H54 Cl2 Li2 O12 P2 Pd2 S2 | P -1 | 9.6353; 10.7338; 13.7048 103.819; 93.508; 106.9 | 1303.85 | Wucher, Philipp; Schwaderer, Judith B.; Mecking, Stefan Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer Insertion Copolymerization ACS Catalysis, 2014, 4, 2672 |
4511631 | CIF | C27 H28 N O6 P Pd S | P 1 21/c 1 | 13.7944; 9.9669; 22.1792 90; 120.694; 90 | 2622.2 | Wucher, Philipp; Schwaderer, Judith B.; Mecking, Stefan Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer Insertion Copolymerization ACS Catalysis, 2014, 4, 2672 |
4511643 | CIF | C13 H10 Br F3 O2 | P 21 21 21 | 6.384; 11.747; 17.072 90; 90; 90 | 1280.3 | Davies, Alyn T.; Pickett, Philip M.; Slawin, Alexandra M. Z.; Smith, Andrew D. Asymmetric Synthesis of Tri- and Tetrasubstituted Trifluoromethyl Dihydropyranones from α-Aroyloxyaldehydes via NHC Redox Catalysis ACS Catalysis, 2014, 4, 2696 |
4511644 | CIF | C14 H12 Br F3 O2 | P 1 21 1 | 8.1604; 9.5399; 9.6845 90; 109.041; 90 | 712.7 | Davies, Alyn T.; Pickett, Philip M.; Slawin, Alexandra M. Z.; Smith, Andrew D. Asymmetric Synthesis of Tri- and Tetrasubstituted Trifluoromethyl Dihydropyranones from α-Aroyloxyaldehydes via NHC Redox Catalysis ACS Catalysis, 2014, 4, 2696 |
4511645 | CIF | C13 H14 Br F3 O2 | P 21 21 21 | 6.043; 7.8416; 29.273 90; 90; 90 | 1387.2 | Davies, Alyn T.; Pickett, Philip M.; Slawin, Alexandra M. Z.; Smith, Andrew D. Asymmetric Synthesis of Tri- and Tetrasubstituted Trifluoromethyl Dihydropyranones from α-Aroyloxyaldehydes via NHC Redox Catalysis ACS Catalysis, 2014, 4, 2696 |
4511667 | CIF | C19 H12 I N O | P 1 21 1 | 8.2619; 7.6594; 12.583 90; 99.974; 90 | 784.2 | Gao, De-Wei; Gu, Qing; You, Shu-Li Pd(II)-Catalyzed Intermolecular Direct C‒H Bond Iodination: An Efficient Approach toward the Synthesis of Axially Chiral Compounds via Kinetic Resolution ACS Catalysis, 2014, 4, 2741 |
4511670 | CIF | C56 H70 Cl10 N4 Ru2 | C 1 2/c 1 | 23.4392; 12.8809; 20.9819 90; 108.654; 90 | 6002 | Gonell, Sergio; Peris, Eduardo Pyrene-Based Mono- and Di-N-Heterocyclic Carbene Ligand Complexes of Ruthenium for the Preparation of Mixed Arylated/Alkylated Arylpyridines ACS Catalysis, 2014, 4, 2811 |
4511774 | CIF | C22 H42 Cl N Ni P2 | P 21 21 21 | 11.354; 14.53; 14.976 90; 90; 90 | 2470.6 | Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J. Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands ACS Catalysis, 2014, 4, 2941 |
4511775 | CIF | C36 H56 N2 Ni P2 | P 42 b c | 18.924; 18.924; 19.322 90; 90; 90 | 6919.6 | Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J. Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands ACS Catalysis, 2014, 4, 2941 |
4511776 | CIF | C36 H55 N Ni O P2 | P 42 b c | 18.927; 18.927; 19.275 90; 90; 90 | 6904.9 | Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J. Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands ACS Catalysis, 2014, 4, 2941 |
4511777 | CIF | C36 H31 N Ni O P2 | P 1 n 1 | 14.1636; 11.3071; 18.0536 90; 90.216; 90 | 2891.2 | Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J. Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands ACS Catalysis, 2014, 4, 2941 |
4511778 | CIF | C42 H61 N Ni P2 S | P 1 21/n 1 | 11.218; 17.049; 20.543 90; 103.831; 90 | 3815 | Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J. Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands ACS Catalysis, 2014, 4, 2941 |
4511779 | CIF | C36 H31 N Ni P2 S | P c a 21 | 10.107; 17.521; 17.023 90; 90; 90 | 3015 | Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J. Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands ACS Catalysis, 2014, 4, 2941 |
4511780 | CIF | C30 H46.8 Cl0.2 N Ni O0.8 P2 | P 1 21/c 1 | 10.3866; 18.0201; 15.5109 90; 92.576; 90 | 2900.2 | Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J. Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands ACS Catalysis, 2014, 4, 2941 |
4511781 | CIF | C30 H51 N Ni P2 S | P 1 21/c 1 | 10.2239; 18.5337; 15.7104 90; 91.024; 90 | 2976.4 | Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J. Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands ACS Catalysis, 2014, 4, 2941 |
4511782 | CIF | C32 H57 B2 F8 N3 Ni P2 | P 1 21/c 1 | 12.2559; 15.9677; 19.9262 90; 102.37; 90 | 3809 | Weiss, Charles J.; Das, Parthapratim; Miller, Deanna L.; Helm, Monte L.; Appel, Aaron M. Catalytic Oxidation of Alcohol via Nickel Phosphine Complexes with Pendant Amines ACS Catalysis, 2014, 4, 2951 |
4511783 | CIF | C26 H53 B2 F8 N5 Ni P2 | P 1 21 1 | 10.6454; 10.5867; 17.3734 90; 90.393; 90 | 1957.9 | Weiss, Charles J.; Das, Parthapratim; Miller, Deanna L.; Helm, Monte L.; Appel, Aaron M. Catalytic Oxidation of Alcohol via Nickel Phosphine Complexes with Pendant Amines ACS Catalysis, 2014, 4, 2951 |
4511784 | CIF | C148 H222 B3 F12 N14 Ni3 P12 | P 1 2/n 1 | 14.8297; 11.6379; 43.244 90; 92.88; 90 | 7453.9 | Weiss, Charles J.; Das, Parthapratim; Miller, Deanna L.; Helm, Monte L.; Appel, Aaron M. Catalytic Oxidation of Alcohol via Nickel Phosphine Complexes with Pendant Amines ACS Catalysis, 2014, 4, 2951 |
4511901 | CIF | C32 H40 Cl Ir P2 | P n a 21 | 15.2261; 11.1905; 17.3055 90; 90; 90 | 2948.64 | Bézier, David; Brookhart, Maurice Applications of PC(sp3)P Iridium Complexes in Transfer Dehydrogenation of Alkanes ACS Catalysis, 2014, 4, 3411 |
4511978 | CIF | C46 H74 O P4 Pd2 S4 | P 1 21/c 1 | 18.0562; 14.0451; 22.0832 90; 113.61; 90 | 5131.5 | Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams ACS Catalysis, 2014, 4, 3605 |
4511979 | CIF | C75 H138 Cl4 N2 P4 Pd2 S4 | P -1 | 10.2156; 16.2747; 26.6821 91.603; 90.239; 103.725 | 4307.4 | Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams ACS Catalysis, 2014, 4, 3605 |
4511980 | CIF | C18 H16 O6 | P -1 | 10.209; 11.5382; 15.259 72.37; 89.09; 66.272 | 1556.57 | Mbofana, Curren T.; Miller, Scott J. Phosphine-Catalyzed Annulation Reactions of 2-Butynoate and α-Keto Esters: Synthesis of Cyclopentene Derivatives ACS Catalysis, 2014, 4, 3671 |
4511983 | CIF | C59 H60 F3 O4 P4 Rh S | P 1 21/n 1 | 12.7463; 15.5086; 13.5727 90; 109.429; 90 | 2530.23 | Bays, John Timothy; Priyadarshani, Nilusha; Jeletic, Matthew S.; Hulley, Elliot B.; Miller, Deanna L.; Linehan, John C.; Shaw, Wendy J. The Influence of the Second and Outer Coordination Spheres on Rh(diphosphine)2 CO2 Hydrogenation Catalysts ACS Catalysis, 2014, 140903144432009 |
4511984 | CIF | C65.5 H70.875 F3 N2 O9.125 P4 Rh S | P 1 21/c 1 | 12.4663; 47.636; 42.394 90; 91.499; 90 | 25167 | Bays, John Timothy; Priyadarshani, Nilusha; Jeletic, Matthew S.; Hulley, Elliot B.; Miller, Deanna L.; Linehan, John C.; Shaw, Wendy J. The Influence of the Second and Outer Coordination Spheres on Rh(diphosphine)2 CO2 Hydrogenation Catalysts ACS Catalysis, 2014, 140903144432009 |
4511985 | CIF | C55 H54 F3 N2 O3 P4 Rh S | P -1 | 11.1175; 13.2349; 18.044 93.743; 95.848; 109.218 | 2480.1 | Bays, John Timothy; Priyadarshani, Nilusha; Jeletic, Matthew S.; Hulley, Elliot B.; Miller, Deanna L.; Linehan, John C.; Shaw, Wendy J. The Influence of the Second and Outer Coordination Spheres on Rh(diphosphine)2 CO2 Hydrogenation Catalysts ACS Catalysis, 2014, 140903144432009 |
4511995 | CIF | C16 H39 N4 O5 P | P -1 | 8.8946; 9.599; 14.595 105.46; 94.446; 114.78 | 1064.6 | Jeletic, Matthew S.; Helm, Monte L.; Hulley, Elliott B.; Mock, Michael T.; Appel, Aaron M.; Linehan, John C. A Cobalt Hydride Catalyst for the Hydrogenation of CO2: Pathways for Catalysis and Deactivation ACS Catalysis, 2014, 4, 3755 |
4511996 | CIF | C16 H35 N4 O2 P | P -1 | 9.492; 10.0652; 11.6878 72.135; 84.493; 64.509 | 958.49 | Jeletic, Matthew S.; Helm, Monte L.; Hulley, Elliott B.; Mock, Michael T.; Appel, Aaron M.; Linehan, John C. A Cobalt Hydride Catalyst for the Hydrogenation of CO2: Pathways for Catalysis and Deactivation ACS Catalysis, 2014, 4, 3755 |
4512057 | CIF | C16 H22 O6 | P 1 21 1 | 9.64383; 5.51183; 14.44803 90; 95.6537; 90 | 764.251 | Kim, Junghwa; Lee, Dong-Hwan; Kalutharage, Nishantha; Yi, Chae S. Selective Catalytic Synthesis of Unsymmetrical Ethers from the Dehydrative Etherification of Two Different Alcohols ACS Catalysis, 2014, 4, 3881 |
4512058 | CIF | C35 H54 O2 | P 1 21 1 | 12.0622; 9.18339; 13.6306 90; 94.3; 90 | 1505.64 | Kim, Junghwa; Lee, Dong-Hwan; Kalutharage, Nishantha; Yi, Chae S. Selective Catalytic Synthesis of Unsymmetrical Ethers from the Dehydrative Etherification of Two Different Alcohols ACS Catalysis, 2014, 4, 3881 |
4512105 | CIF | C44 H31 Cl Ir N2 O2 P | P -1 | 11.7801; 14.2655; 17.1787 88.278; 80.64; 69.608 | 2668.8 | Wang, Dawei; Zhao, Keyan; Xu, Chongying; Miao, Hongyan; Ding, Yuqiang Synthesis, Structures of Benzoxazolyl Iridium(III) Complexes, and Applications on C‒C and C‒N Bond Formation Reactions under Solvent-Free Conditions: Catalytic Activity Enhanced by Noncoordinating Anion without Silver Effect ACS Catalysis, 2014, 4, 3910 |
4512106 | CIF | C38 H43 Cl Ir N2 O2 P | P 1 21/c 1 | 9.2237; 23.848; 16.3363 90; 103.348; 90 | 3496.4 | Wang, Dawei; Zhao, Keyan; Xu, Chongying; Miao, Hongyan; Ding, Yuqiang Synthesis, Structures of Benzoxazolyl Iridium(III) Complexes, and Applications on C‒C and C‒N Bond Formation Reactions under Solvent-Free Conditions: Catalytic Activity Enhanced by Noncoordinating Anion without Silver Effect ACS Catalysis, 2014, 4, 3910 |
4512210 | CIF | C46 H51 B Cl6 Cu N7 O | P -1 | 11.8005; 12.088; 18.1433 101.21; 93.076; 105.213 | 2434.7 | Corro, Macarena; Besora, Maria; Maya, Celia; Álvarez, Eleuterio; Urbano, Juan; Fructos, Manuel R.; Maseras, Feliu; Pérez, Pedro J. Catalytic Copper-Mediated Ring Opening and Functionalization of Benzoxazoles ACS Catalysis, 2014, 4, 4215 |
4512211 | CIF | C16.5 H7 B Br9 Cl Cu N7 S | P -1 | 11.1605; 13.8447; 19.6313 83.707; 80.497; 79.114 | 2928.2 | Corro, Macarena; Besora, Maria; Maya, Celia; Álvarez, Eleuterio; Urbano, Juan; Fructos, Manuel R.; Maseras, Feliu; Pérez, Pedro J. Catalytic Copper-Mediated Ring Opening and Functionalization of Benzoxazoles ACS Catalysis, 2014, 4, 4215 |
4512212 | CIF | C17 H17 N O4 | P -1 | 7.9337; 8.6976; 11.8982 110.549; 102.752; 93.549 | 741.04 | Corro, Macarena; Besora, Maria; Maya, Celia; Álvarez, Eleuterio; Urbano, Juan; Fructos, Manuel R.; Maseras, Feliu; Pérez, Pedro J. Catalytic Copper-Mediated Ring Opening and Functionalization of Benzoxazoles ACS Catalysis, 2014, 4, 4215 |
4512224 | CIF | C34 H46 Cl N4 Rh | P 1 21/c 1 | 24.481; 13.201; 20.184 90; 93.847; 90 | 6508.2 | Azpíroz, Ramón; Rubio-Pérez, Laura; Di Giuseppe, Andrea; Passarelli, Vincenzo; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A. Rhodium(I)-N-Heterocyclic Carbene Catalyst for Selective Coupling ofN-Vinylpyrazoles with Alkynes via C‒H Activation ACS Catalysis, 2014, 4, 4244 |
4512225 | CIF | C39 H51 Cl N5 Rh | P 1 21/n 1 | 15.579; 13.803; 18.6728 90; 112.173; 90 | 3718.4 | Azpíroz, Ramón; Rubio-Pérez, Laura; Di Giuseppe, Andrea; Passarelli, Vincenzo; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A. Rhodium(I)-N-Heterocyclic Carbene Catalyst for Selective Coupling ofN-Vinylpyrazoles with Alkynes via C‒H Activation ACS Catalysis, 2014, 4, 4244 |
4512242 | CIF | C26 H26 N3 O7 S2 | P 1 21 1 | 10.08; 20.648; 13.183 90; 107.503; 90 | 2616.8 | Ohmatsu, Kohsuke; Kawai, Shinya; Imagawa, Naomichi; Ooi, Takashi Palladium-Catalyzed Asymmetric [3 + 2] Cycloaddition of 5-Vinyloxazolidinones with Imines Using Chiral Ammonium-Phosphine Hybrid Ligand ACS Catalysis, 2014, 4, 4304 |
4512275 | CIF | C15 H11 Cl O | P 1 21/c 1 | 5.8543; 22.954; 8.9509 90; 96.206; 90 | 1195.8 | Gandeepan, Parthasarathy; Rajamalli, P.; Cheng, Chien-Hong Palladium-Catalyzed Dehydrogenative β-Arylation of Simple Saturated Carbonyls by Aryl Halides ACS Catalysis, 2014, 4, 4485 |
4512276 | CIF | C22 H18 O | P 1 21/n 1 | 5.8215; 8.3087; 33.2148 90; 94.567; 90 | 1601.47 | Gandeepan, Parthasarathy; Rajamalli, P.; Cheng, Chien-Hong Palladium-Catalyzed Dehydrogenative β-Arylation of Simple Saturated Carbonyls by Aryl Halides ACS Catalysis, 2014, 4, 4485 |
4512277 | CIF | C17 H16 O | P 1 21/c 1 | 12.7973; 6.1187; 16.9311 90; 101.782; 90 | 1297.82 | Gandeepan, Parthasarathy; Rajamalli, P.; Cheng, Chien-Hong Palladium-Catalyzed Dehydrogenative β-Arylation of Simple Saturated Carbonyls by Aryl Halides ACS Catalysis, 2014, 4, 4485 |
4512454 | CIF | C17 H26 O4 | P 1 21/c 1 | 5.4051; 35.529; 16.8799 90; 99.541; 90 | 3196.7 | Weiss, Marcel; Peters, René Catalytic Direct Dehydrogenative Cross-Couplings of C‒H (Pro)Nucleophiles and Allylic Alcohols without an Additional Oxidant ACS Catalysis, 2015, 5, 310 |
4512455 | CIF | C23 H27 N O | P 1 21 1 | 5.1067; 11.928; 15.558 90; 96.711; 90 | 941.19 | Weiss, Marcel; Peters, René Catalytic Direct Dehydrogenative Cross-Couplings of C‒H (Pro)Nucleophiles and Allylic Alcohols without an Additional Oxidant ACS Catalysis, 2015, 5, 310 |
4512456 | CIF | C22 H19 F4 N O4 | P 21 21 21 | 12.878; 15.68; 19.97 90; 90; 90 | 4032 | Avidan-Shlomovich, Shlomit; Ghosh, Harisadhan; Szpilman, Alex M. Synthetic and Mechanistic Study of the Catalytic Enantioselective Preparation of Primary β-Amino Ketones from Enones and a Fluorinated Gabriel Reagent ACS Catalysis, 2015, 5, 336 |
4512457 | CIF | C22 H27.5 Cl2 N3.5 Ni O8 P | C 1 2/c 1 | 28.443; 8.4569; 22.9631 90; 107.39; 90 | 5271.1 | Chen, Lingjing; Chen, Gui; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Anxolabéhère-Mallart, Elodie; Robert, Marc; Lau, Tai-Chu Dual Homogeneous and Heterogeneous Pathways in Photo- and Electrocatalytic Hydrogen Evolution with Nickel(II) Catalysts Bearing Tetradentate Macrocyclic Ligands ACS Catalysis, 2015, 5, 356 |
4512458 | CIF | C15 H25 Cl2 N3 Ni O8 S | P -1 | 8.7289; 8.7999; 13.9708 93.47; 106.608; 93.681 | 1022.76 | Chen, Lingjing; Chen, Gui; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Anxolabéhère-Mallart, Elodie; Robert, Marc; Lau, Tai-Chu Dual Homogeneous and Heterogeneous Pathways in Photo- and Electrocatalytic Hydrogen Evolution with Nickel(II) Catalysts Bearing Tetradentate Macrocyclic Ligands ACS Catalysis, 2015, 5, 356 |
4512459 | CIF | C30 H42 Cl4 N6 Ni2 O8 S2 | P -1 | 8.0156; 12.2115; 19.7215 91.373; 99.117; 93.388 | 1901.6 | Chen, Lingjing; Chen, Gui; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Anxolabéhère-Mallart, Elodie; Robert, Marc; Lau, Tai-Chu Dual Homogeneous and Heterogeneous Pathways in Photo- and Electrocatalytic Hydrogen Evolution with Nickel(II) Catalysts Bearing Tetradentate Macrocyclic Ligands ACS Catalysis, 2015, 5, 356 |
4512460 | CIF | C24 H36 Cl2 N3 Ni O9 P | P -1 | 9.3883; 13.0308; 13.093 79.943; 89.364; 73.953 | 1514.52 | Chen, Lingjing; Chen, Gui; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Anxolabéhère-Mallart, Elodie; Robert, Marc; Lau, Tai-Chu Dual Homogeneous and Heterogeneous Pathways in Photo- and Electrocatalytic Hydrogen Evolution with Nickel(II) Catalysts Bearing Tetradentate Macrocyclic Ligands ACS Catalysis, 2015, 5, 356 |
4512489 | CIF | C20 H16 Br Fe N5 | C 1 2/c 1 | 16.847; 13.0275; 16.3223 90; 96.25; 90 | 3561 | Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K. Regulation of Iron-Catalyzed Olefin Hydroboration by Ligand Modifications at a Remote Site ACS Catalysis, 2015, 5, 411 |
4512490 | CIF | C25 H24 F3 Fe N5 O4 S | P 1 | 8.4756; 8.8071; 18.6806 99.732; 90.796; 112.598 | 1264.06 | Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K. Regulation of Iron-Catalyzed Olefin Hydroboration by Ligand Modifications at a Remote Site ACS Catalysis, 2015, 5, 411 |
4512491 | CIF | C23 H19 F6 Fe N5 O6 S2 | P -1 | 10.7036; 12.1278; 12.2733 66.351; 73.133; 69.747 | 1347.8 | Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K. Regulation of Iron-Catalyzed Olefin Hydroboration by Ligand Modifications at a Remote Site ACS Catalysis, 2015, 5, 411 |
4512510 | CIF | C40 H36 Cl2 F3 N3 O7 P Re S | P 1 21/n 1 | 12.089; 9.0476; 36.982 90; 91.534; 90 | 4043.5 | Liu, Jinyong; Choe, Jong Kwon; Wang, Yin; Shapley, John R.; Werth, Charles J.; Strathmann, Timothy J. Bioinspired Complex-Nanoparticle Hybrid Catalyst System for Aqueous Perchlorate Reduction: Rhenium Speciation and Its Influence on Catalyst Activity ACS Catalysis, 2015, 5, 511 |
4512511 | CIF | C55 H46 F3 N2 O7 P2 Re S | P 21 21 21 | 11.209; 11.6194; 37.5809 90; 90; 90 | 4894.6 | Liu, Jinyong; Choe, Jong Kwon; Wang, Yin; Shapley, John R.; Werth, Charles J.; Strathmann, Timothy J. Bioinspired Complex-Nanoparticle Hybrid Catalyst System for Aqueous Perchlorate Reduction: Rhenium Speciation and Its Influence on Catalyst Activity ACS Catalysis, 2015, 5, 511 |
4512512 | CIF | C37 H56 Co N3 Si | P 1 21/n 1 | 17.8016; 12.0498; 18.7953 90; 117.63; 90 | 3571.93 | Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J. High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands ACS Catalysis, 2015, 5, 622 |
4512513 | CIF | C31 H45 Co N2 | C 1 2/c 1 | 16.1764; 9.2233; 18.8751 90; 92.623; 90 | 2813.2 | Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J. High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands ACS Catalysis, 2015, 5, 622 |
4512514 | CIF | C38 H57 Co N2 | C 1 2/c 1 | 38.978; 10.046; 18.259 90; 104.3; 90 | 6928 | Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J. High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands ACS Catalysis, 2015, 5, 622 |
4512515 | CIF | C19 H22 Co N3 Si | P 1 21/n 1 | 11.086; 19.096; 16.774 90; 94.52; 90 | 3540 | Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J. High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands ACS Catalysis, 2015, 5, 622 |
4512516 | CIF | C14 H21 Cl Co N2 Si | R -3 :H | 31.103; 31.103; 9.4729 90; 90; 120 | 7936.3 | Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J. High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands ACS Catalysis, 2015, 5, 622 |
4512529 | CIF | C45 H40 F4 N3 O P Ru | P 21 21 21 | 13.869; 16.834; 16.985 90; 90; 90 | 3965.5 | McKay, David; Riddlestone, Ian M.; Macgregor, Stuart A.; Mahon, Mary F.; Whittlesey, Michael K. Mechanistic Study of Ru-NHC-Catalyzed Hydrodefluorination of Fluoropyridines: The Influence of the NHC on the Regioselectivity of C‒F Activation and Chemoselectivity of C‒F versus C‒H Bond Cleavage ACS Catalysis, 2015, 5, 776 |
4512584 | CIF | C12 H20 Cl N3 Ni | P c a 21 | 16.1973; 9.2551; 18.251 90; 90; 90 | 2736 | Pérez García, Pablo M.; Ren, Peng; Scopelliti, Rosario; Hu, Xile Nickel-Catalyzed Direct Alkylation of Terminal Alkynes at Room Temperature: A Hemilabile Pincer Ligand Enhances Catalytic Activity ACS Catalysis, 2015, 5, 1164 |
4512585 | CIF | C20 H25 N3 Ni | P 1 21/n 1 | 9.7694; 14.6639; 12.8939 90; 100.806; 90 | 1814.4 | Pérez García, Pablo M.; Ren, Peng; Scopelliti, Rosario; Hu, Xile Nickel-Catalyzed Direct Alkylation of Terminal Alkynes at Room Temperature: A Hemilabile Pincer Ligand Enhances Catalytic Activity ACS Catalysis, 2015, 5, 1164 |
4512586 | CIF | C144 H154 B2 Fe3 O13 P8 | P -1 | 14.7034; 15.3502; 30.5317 81.607; 77.192; 79.041 | 6558.1 | Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation ACS Catalysis, 2015, 5, 1254 |
4512587 | CIF | C42 H44 Fe P4 | P -1 | 11.3961; 11.8042; 14.9611 88.014; 81.462; 63.904 | 1786.33 | Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation ACS Catalysis, 2015, 5, 1254 |
4512588 | CIF | C49 H58 B F4 Fe N P4 | P -1 | 11.6311; 12.2422; 18.0737 104.224; 98.681; 106.392 | 2325.12 | Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation ACS Catalysis, 2015, 5, 1254 |
4512589 | CIF | C66 H63 B Fe P4 | P -1 | 12.4918; 13.5351; 19.2058 92.091; 105.612; 94.273 | 3113.4 | Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation ACS Catalysis, 2015, 5, 1254 |
4512590 | CIF | C103 H117 B4 F16 Fe2 N7 P8 | C 1 2/c 1 | 33.6116; 14.8734; 20.7957 90; 105.833; 90 | 10001.7 | Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation ACS Catalysis, 2015, 5, 1254 |
4512815 | CIF | C58 H58 B2 F8 N2 Ni P4 | P 1 21/n 1 | 9.2602; 20.7179; 14.2353 90; 97.2; 90 | 2709.5 | Brown, Houston J. S.; Wiese, Stefan; Roberts, John A. S.; Bullock, R. Morris; Helm, Monte L. Electrocatalytic Hydrogen Production by [Ni(7PPh2NH)2]2+: Removing the Distinction Between Endo- and Exo-Protonation Sites ACS Catalysis, 2015, 5, 2116 |
4512816 | CIF | C38 H44 B2 Cl4 F14 N2 Ni O4 P4 | P -1 | 10.3197; 13.2465; 19.7249 94.91; 101.046; 109.554 | 2460.92 | Brown, Houston J. S.; Wiese, Stefan; Roberts, John A. S.; Bullock, R. Morris; Helm, Monte L. Electrocatalytic Hydrogen Production by [Ni(7PPh2NH)2]2+: Removing the Distinction Between Endo- and Exo-Protonation Sites ACS Catalysis, 2015, 5, 2116 |
4512822 | CIF | C31 H32 B2 N2 O2 | P -1 | 9.5673; 12.0514; 12.4802 85.896; 77.575; 73.572 | 1347.8 | Guo, Xi; Nelson, Amanda K.; Slebodnick, Carla; Santos, Webster L. Regio- and Chemoselective Diboration of Allenes with Unsymmetrical Diboron: Formation of Vinyl and Allyl Boronic Acid Derivatives ACS Catalysis, 2015, 2172 |
4512852 | CIF | C58 H81 F12 Fe2 N9 O18 S4 | P 21 21 21 | 16.9742; 17.1155; 50.282 90; 90; 90 | 14608 | Lyakin, Oleg Y.; Zima, Alexandra M.; Samsonenko, Denis G.; Bryliakov, Konstantin P.; Talsi, Evgenii P. EPR Spectroscopic Detection of the Elusive FeV═O Intermediates in Selective Catalytic Oxofunctionalizations of Hydrocarbons Mediated by Biomimetic Ferric Complexes ACS Catalysis, 2015, 5, 2702 |
4512854 | CIF | C31 H27 F3 N2 O4 S | P -1 | 9.4555; 12.671; 13.141 89.372; 83.024; 70.301 | 1470.6 | Ghorai, Debasish; Choudhury, Joyanta Rhodium(III)‒N-Heterocyclic Carbene-Driven Cascade C‒H Activation Catalysis ACS Catalysis, 2015, 5, 2692 |
4512855 | CIF | C45 H31 F3 N2 O3 S | P -1 | 10.6172; 12.7911; 14.6372 102.793; 106.868; 96.17 | 1823.39 | Ghorai, Debasish; Choudhury, Joyanta Rhodium(III)‒N-Heterocyclic Carbene-Driven Cascade C‒H Activation Catalysis ACS Catalysis, 2015, 5, 2692 |
4512856 | CIF | C12 H10 N2 Ni S2 | P 1 21/c 1 | 12.301; 5.883; 8.098 90; 95.547; 90 | 583.3 | Das, Amit; Han, Zhiji; Brennessel, William W.; Holland, Patrick L.; Eisenberg, Richard Nickel Complexes for Robust Light-Driven and Electrocatalytic Hydrogen Production from Water ACS Catalysis, 2015, 5, 1397 |
4512857 | CIF | C20 H36 N2 Ni O4 S6 | P -1 | 8.3237; 11.0567; 15.928 92.197; 99.883; 94.145 | 1438.4 | Das, Amit; Han, Zhiji; Brennessel, William W.; Holland, Patrick L.; Eisenberg, Richard Nickel Complexes for Robust Light-Driven and Electrocatalytic Hydrogen Production from Water ACS Catalysis, 2015, 5, 1397 |
4512930 | CIF | C10 H17 N O3 | P 21 21 21 | 9.8502; 13.6853; 16.4912 90; 90; 90 | 2223.1 | Bae, Han Yong; Song, Choong Eui Unprecedented Hydrophobic Amplification in Noncovalent Organocatalysis “on Water”: Hydrophobic Chiral Squaramide Catalyzed Michael Addition of Malonates to Nitroalkenes ACS Catalysis, 2015, 5, 3613 |
4512945 | CIF | C36 H52 Br Co N2 O2 | P 1 | 10.795; 12.6416; 14.6957 65.979; 89.9734; 71.994 | 1723.83 | North, Michael; Quek, Sophie C. Z.; Pridmore, Natalie E.; Whitwood, Adrian C.; Wu, Xiao Aluminum(salen) Complexes as Catalysts for the Kinetic Resolution of Terminal Epoxides via CO2Coupling ACS Catalysis, 2015, 5, 3398 |
4512946 | CIF | C16 H12 F3 N O2 | P -1 | 8.167; 8.306; 10.825 91.64; 99.308; 92.741 | 723.3 | Albaladejo, María José; Alonso, Francisco; González-Soria, María José Synthetic and Mechanistic Studies on the Solvent-Dependent Copper-Catalyzed Formation of Indolizines and Chalcones ACS Catalysis, 2015, 5, 3446 |
4512947 | CIF | Bi4 Na20.72 O213.36 W36 Zn8 | P 1 21/n 1 | 13.234; 17.661; 20.966 90; 93.12; 90 | 4893 | Amanchi, Srinivasa Rao; Khenkin, Alexander M.; Diskin-Posner, Yael; Neumann, Ronny Bismuth-Substituted “Sandwich” Type Polyoxometalate Catalyst for Activation of Peroxide: Umpolung of the Peroxo Intermediate and Change of Chemoselectivity ACS Catalysis, 2015, 5, 3336 |
4512948 | CIF | Bi2 Na4 O98.55 W18 Zn6 | P n n m | 16.187; 19.43; 14.641 90; 90; 90 | 4604.8 | Amanchi, Srinivasa Rao; Khenkin, Alexander M.; Diskin-Posner, Yael; Neumann, Ronny Bismuth-Substituted “Sandwich” Type Polyoxometalate Catalyst for Activation of Peroxide: Umpolung of the Peroxo Intermediate and Change of Chemoselectivity ACS Catalysis, 2015, 5, 3336 |
4513027 | CIF | C23 H24 Br N O | P 21 21 21 | 7.2425; 15.4541; 17.01 90; 90; 90 | 1903.9 | Hu, Haoxiang; Meng, Chunna; Dong, Yun; Li, Xin; Ye, Jinxing Catalytic Asymmetric Formal Aza-Diels‒Alder Reactions of α,β-Unsaturated Ketones and 3H-Indoles ACS Catalysis, 2015, 5, 3700 |
4513028 | CIF | C15 H B Br3 F18 N6 Tl | P -1 | 9.4814; 10.765; 13.9827 111.406; 92.343; 99.301 | 1303.49 | Gava, Riccardo; Olmos, Andrea; Noverges, Bárbara; Varea, Teresa; Álvarez, Eleuterio; Belderrain, Tomás R.; Caballero, Ana; Asensio, Gregorio; Pérez, Pedro J. Discovering Copper for Methane C‒H Bond Functionalization ACS Catalysis, 2015, 5, 3726 |
4513029 | CIF | C17 H4 B Br3 Cu F18 N7 | C 1 2/c 1 | 21.9569; 16.6067; 17.0174 90; 105.863; 90 | 5968.8 | Gava, Riccardo; Olmos, Andrea; Noverges, Bárbara; Varea, Teresa; Álvarez, Eleuterio; Belderrain, Tomás R.; Caballero, Ana; Asensio, Gregorio; Pérez, Pedro J. Discovering Copper for Methane C‒H Bond Functionalization ACS Catalysis, 2015, 5, 3726 |
4513030 | CIF | C19 H9 Ag B Br3 F18 N6 O | P -1 | 9.5396; 12.6988; 12.9452 100.867; 94.371; 98.592 | 1514 | Gava, Riccardo; Olmos, Andrea; Noverges, Bárbara; Varea, Teresa; Álvarez, Eleuterio; Belderrain, Tomás R.; Caballero, Ana; Asensio, Gregorio; Pérez, Pedro J. Discovering Copper for Methane C‒H Bond Functionalization ACS Catalysis, 2015, 5, 3726 |
4513043 | CIF | C24 H20 N4 O5 Ru S | P -1 | 8.7507; 10.3497; 14.1618 79.212; 73.228; 77.234 | 1187.17 | Wang, Ying; Duan, Lele; Wang, Lei; Chen, Hong; Sun, Junliang; Sun, Licheng; Ahlquist, Mårten S. G. Alkene Epoxidation Catalysts [Ru(pdc)(tpy)] and [Ru(pdc)(pybox)] Revisited: Revealing a Unique RuIV═O Structure from a Dimethyl Sulfoxide Coordinating Complex ACS Catalysis, 2015, 5, 3966 |
4513044 | CIF | C45 H57 Cl F N2 O3 P Ru | P -1 | 9.25; 10.543; 21.668 84.919; 89.766; 81.66 | 2082.5 | Guidone, Stefano; Songis, Olivier; Falivene, Laura; Nahra, Fady; Slawin, Alexandra M. Z.; Jacobsen, Heiko; Cavallo, Luigi; Cazin, Catherine S. J. Ruthenium Olefin Metathesis Catalysts Containing Fluoride ACS Catalysis, 2015, 5, 3932 |
4513045 | CIF | C45 H57 F2 N2 O3 P Ru | P -1 | 9.123; 10.569; 21.751 94.901; 90.209; 99.166 | 2062.6 | Guidone, Stefano; Songis, Olivier; Falivene, Laura; Nahra, Fady; Slawin, Alexandra M. Z.; Jacobsen, Heiko; Cavallo, Luigi; Cazin, Catherine S. J. Ruthenium Olefin Metathesis Catalysts Containing Fluoride ACS Catalysis, 2015, 5, 3932 |
4513186 | CIF | C49 H47 Cl F6 N2 P2 Ru | P -1 | 11.185; 12.2337; 15.712 87.763; 85.343; 75.988 | 2078.7 | Xie, Xiaoke; Huynh, Han Vinh Tunable Dehydrogenative Amidation versus Amination Using a Single Ruthenium-NHC Catalyst ACS Catalysis, 2015, 5, 4143 |
4513187 | CIF | C45 H47 Cl F6 N2 P2 Ru | C 1 c 1 | 18.524; 15.304; 14.862 90; 98.269; 90 | 4169.4 | Xie, Xiaoke; Huynh, Han Vinh Tunable Dehydrogenative Amidation versus Amination Using a Single Ruthenium-NHC Catalyst ACS Catalysis, 2015, 5, 4143 |
4513215 | CIF | C32 H28 B Fe P | P 21 21 21 | 7.8373; 11.1807; 28.7574 90; 90; 90 | 2519.91 | Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases ACS Catalysis, 2015, 5, 4300 |
4513216 | CIF | C20 H25 N | P 1 21 1 | 8.4925; 18.0565; 21.7726 90; 92.034; 90 | 3336.61 | Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases ACS Catalysis, 2015, 5, 4300 |
4513217 | CIF | C18 H21 N | P -1 | 7.6079; 9.9255; 10.7036 113.746; 100.964; 95.416 | 713.05 | Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases ACS Catalysis, 2015, 5, 4300 |
4513218 | CIF | C25 H29 Fe N O | P 21 21 21 | 10.843; 12.6988; 15.1797 90; 90; 90 | 2090.14 | Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases ACS Catalysis, 2015, 5, 4300 |
4513219 | CIF | C43 H38 N O3.5 P Pd S | P 41 21 2 | 14.5165; 14.5165; 37.1387 90; 90; 90 | 7826.2 | Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases ACS Catalysis, 2015, 5, 4300 |
4513383 | CIF | C72 H78 N4 O11 Ti2 | P 43 21 2 | 12.3687; 12.3687; 44.436 90; 90; 90 | 6798 | Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P. Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes ACS Catalysis, 2015, 5, 4673 |
4513384 | CIF | C76 H78 N4 O11 Ti2 | P 31 2 1 | 19.0457; 19.0457; 41.0671 90; 90; 120 | 12900.9 | Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P. Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes ACS Catalysis, 2015, 5, 4673 |
4513385 | CIF | C65 H61 Cl3 N4 O6 Ti2 | P 1 21 1 | 11.5315; 19.176; 13.4627 90; 98.481; 90 | 2944.4 | Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P. Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes ACS Catalysis, 2015, 5, 4673 |
4513386 | CIF | C68 H66 Br4 N4 O7 Ti2 | P 43 21 2 | 12.2324; 12.2324; 45.9762 90; 90; 90 | 6879.5 | Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P. Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes ACS Catalysis, 2015, 5, 4673 |
4513387 | CIF | C64 H56 Br4 N4 O6 Ti2 | P 1 | 13.8302; 15.4438; 16.7517 108.353; 90.647; 116.089 | 3002.56 | Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P. Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes ACS Catalysis, 2015, 5, 4673 |
4513439 | CIF | C54 H47 N4 O7 | P 21 21 21 | 12.3766; 16.424; 28.578 90; 90; 90 | 5809.1 | Alcaide, Benito; Almendros, Pedro; Fernández, Israel; Martín-Montero, Raúl; Martínez-Peña, Francisco; Ruiz, M. Pilar; Torres, M. Rosario Gold-Catalyzed Reactivity Reversal of Indolizidinone-Tethered β-Amino Allenes Controlled by the Stereochemistry ACS Catalysis, 2015, 5, 4842 |
4513440 | CIF | C22 H22 N2 O3 | P 1 21 1 | 10.202; 7.487; 11.933 90; 100.922; 90 | 895 | Alcaide, Benito; Almendros, Pedro; Fernández, Israel; Martín-Montero, Raúl; Martínez-Peña, Francisco; Ruiz, M. Pilar; Torres, M. Rosario Gold-Catalyzed Reactivity Reversal of Indolizidinone-Tethered β-Amino Allenes Controlled by the Stereochemistry ACS Catalysis, 2015, 5, 4842 |
4513441 | CIF | C22 H16 F3 N O3 S | C 1 2/c 1 | 40.887; 9.2404; 27.6197 90; 131.709; 90 | 7790.1 | Luo, Ching-Zong; Gandeepan, Parthasarathy; Wu, Yun-Ching; Tsai, Chia-Hung; Cheng, Chien-Hong Cooperative C(sp3)‒H and C(sp2)‒H Activation of 2-Ethylpyridines by Copper and Rhodium: A Route toward Quinolizinium Salts ACS Catalysis, 2015, 5, 4837 |
4513442 | CIF | C21 H16 B F4 N | P 21 21 21 | 6.1068; 15.2343; 18.4646 90; 90; 90 | 1717.81 | Luo, Ching-Zong; Gandeepan, Parthasarathy; Wu, Yun-Ching; Tsai, Chia-Hung; Cheng, Chien-Hong Cooperative C(sp3)‒H and C(sp2)‒H Activation of 2-Ethylpyridines by Copper and Rhodium: A Route toward Quinolizinium Salts ACS Catalysis, 2015, 5, 4837 |
4513443 | CIF | C21 H16 F6 N Sb | C 1 2/c 1 | 13.0833; 9.1095; 33.015 90; 91.371; 90 | 3933.7 | Luo, Ching-Zong; Gandeepan, Parthasarathy; Wu, Yun-Ching; Tsai, Chia-Hung; Cheng, Chien-Hong Cooperative C(sp3)‒H and C(sp2)‒H Activation of 2-Ethylpyridines by Copper and Rhodium: A Route toward Quinolizinium Salts ACS Catalysis, 2015, 5, 4837 |
4513454 | CIF | C15 H13 Br N2 | P 41 | 15.9607; 15.9607; 5.4313 90; 90; 90 | 1383.59 | Zhang, De-Yang; Shao, Long; Xu, Jie; Hu, Xiang-Ping Copper-Catalyzed Asymmetric Formal [3 + 2] Cycloaddition of Propargylic Acetates with Hydrazines: Enantioselective Synthesis of Optically Active 2-Pyrazolines ACS Catalysis, 2015, 5, 5026 |
4513487 | CIF | C38 H46 Au N3 O2 | P 1 21/n 1 | 9.1636; 36.3601; 21.4472 90; 97.684; 90 | 7081.8 | Hase, Shun; Kayaki, Yoshihito; Ikariya, Takao Mechanistic Aspects of the Carboxylative Cyclization of Propargylamines and Carbon Dioxide Catalyzed by Gold(I) Complexes Bearing anN-Heterocyclic Carbene Ligand ACS Catalysis, 2015, 5, 5135 |
4513497 | CIF | C39 H14 Cl6 Cu F10 N5 O2 | P -1 | 10.2256; 13.2327; 15.2136 75.791; 82.911; 77.348 | 1941.9 | Lei, Haitao; Fang, Huayi; Han, Yongzhen; Lai, Wenzhen; Fu, Xuefeng; Cao, Rui Reactivity and Mechanism Studies of Hydrogen Evolution Catalyzed by Copper Corroles ACS Catalysis, 2015, 5, 5145 |
4513498 | CIF | C39 H12 Cl4 Cu F15 N4 | P 1 21/c 1 | 13.6323; 13.187; 21.0645 90; 105.96; 90 | 3640.78 | Lei, Haitao; Fang, Huayi; Han, Yongzhen; Lai, Wenzhen; Fu, Xuefeng; Cao, Rui Reactivity and Mechanism Studies of Hydrogen Evolution Catalyzed by Copper Corroles ACS Catalysis, 2015, 5, 5145 |
4513610 | CIF | C20 H20 Cl N O4 | P 21 21 21 | 8.1602; 11.357; 20.59 90; 90; 90 | 1908.2 | Bai, Xing-Feng; Xu, Zheng; Xia, Chun-Gu; Zheng, Zhan-Jiang; Xu, Li-Wen Aromatic-Amide-Derived Nonbiaryl Atropisomer as Highly Efficient Ligand for Asymmetric Silver-Catalyzed [3 + 2] Cycloaddition ACS Catalysis, 2015, 5, 6016 |
4513611 | CIF | C25 H23 N O3 | P 1 21 1 | 6.0364; 17.033; 10.4225 90; 102.271; 90 | 1047.1 | Bai, Xing-Feng; Xu, Zheng; Xia, Chun-Gu; Zheng, Zhan-Jiang; Xu, Li-Wen Aromatic-Amide-Derived Nonbiaryl Atropisomer as Highly Efficient Ligand for Asymmetric Silver-Catalyzed [3 + 2] Cycloaddition ACS Catalysis, 2015, 5, 6016 |
4513656 | CIF | C29 H27 N O6 S | C 1 2 1 | 27.301; 8.7461; 10.8469 90; 96.239; 90 | 2574.7 | Hao, Xiaoyu; Lin, Lili; Tan, Fei; Yin, Chengkai; Liu, Xiaohua; Feng, Xiaoming Ligand Control of Diastereodivergency in Asymmetric Inverse Electron Demand Diels‒Alder Reaction ACS Catalysis, 2015, 5, 6052 |
4513657 | CIF | C29 H27 N O6 S | P 21 21 21 | 12.1813; 12.9222; 16.9425 90; 90; 90 | 2666.9 | Hao, Xiaoyu; Lin, Lili; Tan, Fei; Yin, Chengkai; Liu, Xiaohua; Feng, Xiaoming Ligand Control of Diastereodivergency in Asymmetric Inverse Electron Demand Diels‒Alder Reaction ACS Catalysis, 2015, 5, 6052 |
4513663 | CIF | C32 H42 Ag N2 | C 1 2/c 1 | 16.043; 6.7774; 27.121 90; 94.443; 90 | 2940 | Liu, Qilun; Yuan, Zheliang; Wang, Hao-yang; Li, Yang; Wu, Yichen; Xu, Tao; Leng, Xuebing; Chen, Pinhong; Guo, Yin-long; Lin, Zhenyang; Liu, Guosheng Abnormal Mesoionic Carbene Silver Complex: Synthesis, Reactivity, and Mechanistic Insight on Oxidative Fluorination ACS Catalysis, 2015, 5, 6732 |
4513664 | CIF | C32 H40 Ag F2 N3 O3 | C 1 2/c 1 | 30.342; 14.1754; 27.882 90; 98.13; 90 | 11872 | Liu, Qilun; Yuan, Zheliang; Wang, Hao-yang; Li, Yang; Wu, Yichen; Xu, Tao; Leng, Xuebing; Chen, Pinhong; Guo, Yin-long; Lin, Zhenyang; Liu, Guosheng Abnormal Mesoionic Carbene Silver Complex: Synthesis, Reactivity, and Mechanistic Insight on Oxidative Fluorination ACS Catalysis, 2015, 5, 6732 |
4513677 | CIF | C25 H28 Cr N O4 P | P 21 21 21 | 10.0194; 14.8755; 33.308 90; 90; 90 | 4964.3 | Radcliffe, James E.; Batsanov, Andrei S.; Smith, David M.; Scott, John A.; Dyer, Philip W.; Hanton, Martin J. Phosphanyl Methanimine (PCN) Ligands for the Selective Trimerization/Tetramerization of Ethylene with Chromium ACS Catalysis, 2015, 5, 7095 |
4513678 | CIF | C29 H36 Cr N O4 P | P 1 21/n 1 | 11.79138; 14.69577; 16.3394 90; 94.4771; 90 | 2822.71 | Radcliffe, James E.; Batsanov, Andrei S.; Smith, David M.; Scott, John A.; Dyer, Philip W.; Hanton, Martin J. Phosphanyl Methanimine (PCN) Ligands for the Selective Trimerization/Tetramerization of Ethylene with Chromium ACS Catalysis, 2015, 5, 7095 |
4513679 | CIF | C32 H38 Cl3 N P2 Pd S | P b c a | 11.77; 16.605; 35.069 90; 90; 90 | 6854 | Sui, Xuelin; Dai, Shengyu; Chen, Changle Ethylene Polymerization and Copolymerization with Polar Monomers by Cationic Phosphine Phosphonic Amide Palladium Complexes ACS Catalysis, 2015, 5, 5932 |
4513680 | CIF | C31 H36 Cl N O P2 Pd | C 1 c 1 | 12.1032; 15.8942; 16.1513 90; 106.192; 90 | 2983.8 | Sui, Xuelin; Dai, Shengyu; Chen, Changle Ethylene Polymerization and Copolymerization with Polar Monomers by Cationic Phosphine Phosphonic Amide Palladium Complexes ACS Catalysis, 2015, 5, 5932 |
4513735 | CIF | C29 H32 N2 O2 | P 1 21/n 1 | 8.6895; 9.8563; 30.266 90; 94.399; 90 | 2584.5 | 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, 186 |
4513736 | CIF | C23 H20 N2 O | P 1 21/n 1 | 12.864; 9.812; 13.652 90; 92.938; 90 | 1720.9 | 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, 451 |
4513737 | CIF | C18 H11 F5 N2 O2 | P 1 21/c 1 | 11.342; 6.528; 21.294 90; 95.503; 90 | 1569.4 | 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, 451 |
4513738 | CIF | C21 H21 N3 | P -1 | 7.784; 10.507; 11.117 106.154; 96.466; 97.82 | 854.3 | 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, 451 |
4513739 | CIF | C25 H19 F N2 O2 | P 1 21/n 1 | 12.243; 7.246; 21.867 90; 105.022; 90 | 1873.6 | 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, 451 |
4513740 | CIF | C18 H15 Br N2 O2 | P 1 21/n 1 | 10.221; 6.258; 24.249 90; 97.531; 90 | 1537.7 | 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, 451 |
4513741 | CIF | C25.57 H21.14 Cl1.13 N2 O2 | P 1 21 1 | 12.2626; 7.2788; 12.3394 90; 104.51; 90 | 1066.25 | 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, 451 |
4513742 | CIF | C20 H18 N2 O2 | P 1 c 1 | 5.238; 12.589; 11.597 90; 91.334; 90 | 764.5 | 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, 451 |
4513743 | CIF | C18 H14 Br N3 | P 1 21/c 1 | 8.6369; 26.751; 6.9978 90; 106.79; 90 | 1547.89 | 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, 451 |
4513744 | CIF | C19 H18 N2 O2 | P 1 21/c 1 | 9.882; 36.918; 8.62 90; 99.99; 90 | 3097.1 | 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, 451 |
4513745 | CIF | C26 H22 N2 O3 | P 1 21/n 1 | 12.352; 7.361; 22.122 90; 98.421; 90 | 1989.7 | 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, 451 |
4513746 | CIF | C20 H18 N2 O2 | P 1 21 1 | 11.035; 6.9; 11.373 90; 115.012; 90 | 784.75 | 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, 451 |
4513747 | CIF | C22 H13 F5 N4 O2 | P 1 21 1 | 7.91984; 7.77745; 16.8551 90; 101.445; 90 | 1017.57 | 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, 589 |
4513748 | CIF | C23.73 H18.45 Cl0.7 N O3.12 S | P 21 21 2 | 9.7227; 23.8357; 8.7364 90; 90; 90 | 2024.6 | 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, 348 |
4513749 | CIF | C30 H25 N O3 S | P 1 21 1 | 5.9234; 17.5385; 11.7578 90; 95.5438; 90 | 1215.78 | 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, 348 |
4513750 | CIF | C19 H16 N2 O S | P 21 21 21 | 9.8811; 10.2565; 15.4749 90; 90; 90 | 1568.31 | 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, 348 |
4513751 | CIF | C22 H19 F N2 O | P b c a | 13.5231; 13.1489; 19.3467 90; 90; 90 | 3440.1 | 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, 151-154 |
4513752 | CIF | C12 H15 F N2 O | P 1 21 1 | 7.6084; 6.4312; 11.7689 90; 103.627; 90 | 559.66 | 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, 151-154 |
4513753 | CIF | C13 H4 F5 N S | P 1 21/c 1 | 14.407; 7.3079; 11.1275 90; 109.808; 90 | 1102.24 | Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis ACS Catalysis, 2016, 6, 369 |
4513754 | CIF | C12 H6 F4 | P 1 21/c 1 | 12.8062; 5.84755; 12.6869 90; 105.223; 90 | 916.72 | Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis ACS Catalysis, 2016, 6, 369 |
4513755 | CIF | C13 H5 F7 | P 21 21 21 | 5.92801; 7.5738; 23.6364 90; 90; 90 | 1061.22 | Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis ACS Catalysis, 2016, 6, 369 |
4513756 | CIF | C12 H5 F5 | C 2 2 21 | 5.80768; 20.9642; 7.68611 90; 90; 90 | 935.81 | Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis ACS Catalysis, 2016, 6, 369 |
4513757 | CIF | C37 H40 Br N O3 | P 21 21 21 | 10.038; 15.921; 20.131 90; 90; 90 | 3217.2 | 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, 652 |
4513758 | CIF | C22 H20 F3 N O | P b c a | 19.0615; 9.325; 20.7194 90; 90; 90 | 3682.8 | 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, 526 |
4513759 | CIF | C36 H44 Er N O Si2 | P 1 21/c 1 | 16.5508; 9.9149; 20.9543 90; 100.391; 90 | 3382.2 | 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, 176 |
4513760 | CIF | C36 H44 Gd N O Si2 | P 1 21/c 1 | 16.5847; 9.9933; 21.0068 90; 100.271; 90 | 3425.8 | 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, 176 |
4513761 | CIF | C36 H44 N Nd O Si2 | P 1 21/c 1 | 16.5572; 10.0221; 21.0296 90; 100.37; 90 | 3432.6 | 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, 176 |
4513762 | CIF | C31 H44 N O Pr Si2 | P 1 21/c 1 | 14.6913; 11.3369; 19.4321 90; 95.729; 90 | 3220.3 | 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, 176 |
4513763 | CIF | C19 H24 Cl F6 N3 P Rh | P -1 | 7.8557; 11.6834; 13.6223 103.37; 94.785; 101.888 | 1178.97 | Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules ACS Catalysis, 2015, 709 |
4513764 | CIF | C20 H26 Cl F6 N3 O P Rh | P c a 21 | 15.666; 7.2906; 21.328 90; 90; 90 | 2436 | Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules ACS Catalysis, 2015, 709 |
4513765 | CIF | C25 H29 Cl F6 N4 P Rh | C 1 2/c 1 | 30.566; 8.1625; 22.272 90; 98.215; 90 | 5499.7 | Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules ACS Catalysis, 2015, 709 |
4513766 | CIF | C20 H26 Cl F6 N3 P Rh | A e a 2 | 28.458; 12.7428; 13.1834 90; 90; 90 | 4780.8 | Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules ACS Catalysis, 2015, 709 |
4513767 | CIF | C23 H31 Cl N3 Rh | R -3 :H | 21.5542; 21.5542; 26.557 90; 90; 120 | 10685 | Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules ACS Catalysis, 2015, 709 |
4513768 | CIF | C28 H36 Cl F6 N3 P Rh | P c a 21 | 16.0545; 7.2176; 24.4803 90; 90; 90 | 2836.65 | Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules ACS Catalysis, 2015, 709 |
4513769 | CIF | C23 H18 F6 N3 P | C 1 2/c 1 | 15.136; 8.965; 32.085 90; 102; 90 | 4259 | Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules ACS Catalysis, 2015, 709 |
4513770 | CIF | C19 H18 F6 N3 P | P 1 21/c 1 | 8.3203; 17.1518; 13.0268 90; 96.731; 90 | 1846.22 | Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules ACS Catalysis, 2015, 709 |
4513771 | CIF | C28 H28 Cl2 F6 N3 P | P 1 21/n 1 | 9.3435; 25.7949; 12.1804 90; 95.655; 90 | 2921.4 | Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules ACS Catalysis, 2015, 709 |
4513772 | CIF | C22 H30 F3 N3 O3 S | P 1 21/c 1 | 8.7885; 23.335; 11.5049 90; 97.583; 90 | 2338.8 | Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules ACS Catalysis, 2015, 709 |
4513773 | CIF | C29 H23 F6 N4 P | P 1 21/c 1 | 12.1221; 9.8286; 21.8422 90; 93.81; 90 | 2596.6 | Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules ACS Catalysis, 2015, 709 |
4513774 | CIF | C21 H24 F6 N3 P | P 1 21/c 1 | 8.0991; 11.7222; 22.981 90; 109.173; 90 | 2060.8 | Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules ACS Catalysis, 2015, 709 |
4513775 | CIF | C22 H24 F6 N3 P | P 1 21/c 1 | 13.3734; 11.2225; 15.731 90; 114.074; 90 | 2155.6 | Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules ACS Catalysis, 2015, 709 |
4513776 | CIF | C37 H28 F6 N3 P | P b c a | 19.6256; 13.0146; 25.6519 90; 90; 90 | 6552 | Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules ACS Catalysis, 2015, 709 |
4513777 | CIF | C27 H24 F6 N3 P | P -1 | 10.4464; 10.5483; 13.2843 89.215; 69.09; 66.286 | 1237.45 | Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules ACS Catalysis, 2015, 709 |
4513778 | CIF | C18 H26 F6 N3 P | P 1 21/c 1 | 8.1489; 17.045; 15.403 90; 101.334; 90 | 2097.7 | Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules ACS Catalysis, 2015, 709 |
4513779 | CIF | C18 H22 Cl N3 Ni | P 1 21/c 1 | 17.067; 10.4806; 18.8193 90; 95.005; 90 | 3353.4 | 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, 258 |
4513780 | CIF | C15 H13 Br N2 O3 S | P 1 | 8.9143; 10.0383; 10.4508 106.994; 96.214; 108.761 | 825.44 | 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, 661 |
4513781 | CIF | C14 H13 N3 | P b c a | 6.9469; 15.845; 20.914 90; 90; 90 | 2302.1 | 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, 647 |
4513782 | CIF | C46 H45 B Cl F4 Fe N2 O P2 | P 21 21 2 | 18.2664; 21.4148; 10.4443 90; 90; 90 | 4085.5 | 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, 301 |
4513783 | CIF | C45 H43 Cl Fe N2 O P2 | P 21 21 21 | 11.0847; 13.0101; 27.0865 90; 90; 90 | 3906.2 | 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, 301 |
4513784 | CIF | C27 H38 B Br O3 | P 32 2 1 | 13.3911; 13.3911; 26.1903 90; 90; 120 | 4067.28 | 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, 442-446 |
4513793 | CIF | C43 H44 O5.5 P | P 1 21 1 | 15.3957; 31.578; 17.2918 90; 111.265; 90 | 7834.3 | 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, 949 |
4513794 | CIF | C112 H91 F12 N O16 P4 | P 31 2 1 | 24.1287; 24.1287; 33.801 90; 90; 120 | 17042.3 | 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, 949 |
4513795 | CIF | C18 H19 N3 O3 | P 1 21/n 1 | 10.383; 10.981; 14.706 90; 106.941; 90 | 1604 | 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, 969-973 |
4513796 | CIF | C20 H16 F N3 O | P 1 21/c 1 | 13.206; 7.219; 17.366 90; 102.062; 90 | 1619 | 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, 969-973 |
4513797 | CIF | C24 H34 F6 Mn N4 O8 S2 | P 1 21/c 1 | 18.0992; 9.65395; 19.7948 90; 110.024; 90 | 3249.64 | 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, 979 |
4513798 | CIF | C18 H10 F3 N O2 | P 1 21/n 1 | 7.3858; 11.7473; 16.1486 90; 97.962; 90 | 1387.6 | 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, 1024 |
4513799 | CIF | C22 H13 N O2 | P 1 21/c 1 | 6.1061; 22.232; 11.7017 90; 95.582; 90 | 1581 | 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, 1024 |
4513801 | CIF | C23 H21 F2 N O | P 1 21 1 | 11.6562; 21.5144; 16.1302 90; 102.368; 90 | 3951.19 | 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, 1198 |
4513802 | CIF | C30 H41 Al Br2 N2 O3 | P 1 21/n 1 | 11.4113; 21.0276; 12.5491 90; 93.583; 90 | 3005.3 | 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, 1215-1224 |
4513803 | CIF | C42 H40 N2 O P2 Ru | P 1 21/c 1 | 9.894; 19.922; 22.901 90; 103.78; 90 | 4384.1 | 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, 1247 |
4513804 | CIF | C10 H15 N O | P 21 21 21 | 6.8744; 8.6699; 15.729 90; 90; 90 | 937.5 | 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, 1247 |
4513805 | CIF | C11 H11 N O | P 1 21/n 1 | 7.5306; 6.1547; 20.6613 90; 91.838; 90 | 957.13 | Wu, Jin-Ji; Li, Yinwu; Zhou, Hai-Yun; Wen, A-Hao; Lun, Chu-Chu; Yao, Su-Yang; Ke, Zhuofeng; Ye, Bao-Hui Copper-Catalyzed Carbamoylation of Terminal Alkynes with Formamides via Cross-Dehydrogenative Coupling ACS Catalysis, 2016, 1263 |
4513806 | CIF | C31 H33 Fe P S | P 1 21 1 | 8.6051; 8.456; 18.6229 90; 96.947; 90 | 1345.14 | 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, 1308 |
4513807 | CIF | C26 H21 N | P -1 | 8.219; 10.1031; 12.1768 86.213; 78.34; 86.602 | 987.01 | 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, 1559 |
4513808 | CIF | C14 H17 N O3 S | P -1 | 6.1084; 14.9045; 15.5068 85.229; 81.551; 83.644 | 1384.7 | 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, 1565 |
4513809 | CIF | C22 H23 N O3 S | P 1 21/n 1 | 9.51; 13.531; 15.5036 90; 101.853; 90 | 1952.46 | 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, 1565 |
4513810 | CIF | C12 H13 N O3 S | P -1 | 7.4674; 8.2917; 10.159 84.506; 89.933; 69.136 | 584.71 | 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, 1565 |
4513811 | CIF | C22 H17 N O3 S | P 1 21/n 1 | 10.3225; 20.9863; 16.6431 90; 95.815; 90 | 3586.9 | 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, 1565 |
4513812 | CIF | C22 H17 N O3 S | P -1 | 8.5582; 10.1474; 11.3665 114.204; 92.3803; 95.0132 | 893.63 | 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, 1565 |
4513813 | CIF | C13 H15 N O3 S | P 1 21/c 1 | 15.7908; 6.1888; 13.6788 90; 106.523; 90 | 1281.57 | 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, 1565 |
4513814 | CIF | C13 H15 N O3 S | P 21 21 21 | 6.4715; 12.2935; 16.0625 90; 90; 90 | 1277.89 | 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, 1565 |
4513815 | CIF | C17 H17 N3 O | P 1 21 1 | 8.6937; 8.2505; 9.8923 90; 96.8229; 90 | 704.524 | 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, 1921-1928 |
4513816 | CIF | C33 H27 F2 N O4 | P -1 | 7.9794; 12.355; 27.87 83.268; 84.119; 89.549 | 2714.2 | 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, 1971 |
4513817 | CIF | C63 H53 B Cl N4 O3 P Ru | P 1 21/c 1 | 10.0715; 28.3272; 21.8875 90; 92.226; 90 | 6239.7 | 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, 1981 |
4513818 | CIF | C38 H36 Cl F6 N3 O4 P2 Ru | P 1 21/n 1 | 14.0112; 9.7442; 27.2179 90; 94.215; 90 | 3706 | 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, 1981 |
4513819 | CIF | C21 H29 Cl F6 N3 O2 P3 Ru | P 1 21/n 1 | 12.1467; 17.3624; 12.8848 90; 90.182; 90 | 2717.3 | 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, 1981 |
4513820 | CIF | C33 H26 Cl2 N3 O2 P Ru | P 1 21/n 1 | 11.6136; 17.269; 14.4146 90; 90.128; 90 | 2890.9 | 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, 1981 |
4513821 | CIF | C69 H53 N6 O5 P2 Ru2 | C 1 2/c 1 | 38.209; 13.4891; 24.3071 90; 118.199; 90 | 11041.1 | 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, 1981 |
4513822 | CIF | C19 H23 F3 Ir N3 O3 S | P 1 21/c 1 | 14.9292; 12.2212; 12.2965 90; 109.506; 90 | 2114.8 | 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, 2014 |
4513823 | CIF | C27 H31 F3 Ir N3 O3 S | P 1 21/c 1 | 11.0313; 26.4631; 19.9865 90; 98.415; 90 | 5771.7 | 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, 2014 |
4513824 | CIF | C2 H5 Na3 O8 | C 1 2/c 1 | 20.3758; 3.4577; 10.3049 90; 106.491; 90 | 696.15 | 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, 2014 |
4513825 | CIF | C28 H33 B O2 Si | P -1 | 9.8337; 11.7927; 12.4336 112.475; 96.966; 104.18 | 1254 | 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, 2192 |
4513826 | CIF | C33 H49 N4 Pd Si2 | P -1 | 11.8802; 12.1897; 13.9679 86.341; 73.708; 63.295 | 1729.87 | 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, 2192 |
4513827 | CIF | C28 H47 B N4 O2 Pd Si | P 1 21/n 1 | 12.9381; 17.8318; 14.8311 90; 113.454; 90 | 3138.98 | 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, 2192 |
4513837 | CIF | C23 H26 I2 Ir N3 | P 1 21/c 1 | 17.0173; 7.793; 19.3018 90; 103.52; 90 | 2488.79 | Semwal, Shrivats; Choudhury, Joyanta Molecular Coordination-Switch in a New Role: Controlling Highly Selective Catalytic Hydrogenation with Switchability Function ACS Catalysis, 2016, 6, 2424 |
4513838 | CIF | C23 H25 I Ir N3 | P -1 | 9.2675; 10.21; 12.0027 79.971; 78.553; 83.299 | 1092.13 | Semwal, Shrivats; Choudhury, Joyanta Molecular Coordination-Switch in a New Role: Controlling Highly Selective Catalytic Hydrogenation with Switchability Function ACS Catalysis, 2016, 6, 2424 |
4513839 | CIF | C21 H19 N O4 | P 21 21 21 | 7.32516; 13.4286; 19.6168 90; 90; 90 | 1929.64 | 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, 2482 |
4513840 | CIF | C17 H10 F6 O2 | P 1 21/c 1 | 5.622; 15.483; 18.549 90; 94.841; 90 | 1608.8 | 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, 2501 |
4513841 | CIF | C12 H12 O4 | P 1 21/n 1 | 4.5824; 19.9078; 12.0067 90; 94.374; 90 | 1092.13 | 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, 2501 |
4513842 | CIF | C67 H16 B2 Cl2 F40 Fe4 O12 S4 | P c a 21 | 17.7344; 14.2966; 30.6824 90; 90; 90 | 7779.3 | 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, 2559 |
4513843 | CIF | C36 H5 B F20 Fe2 O6 S2 | P b c a | 16.0418; 20.9445; 23.0959 90; 90; 90 | 7759.9 | 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, 2559 |
4513844 | CIF | C33 H7 B Cl2 F20 Fe2 O6 S2 | C 1 c 1 | 22.9134; 12.3868; 17.2161 90; 124.699; 90 | 4017.3 | 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, 2559 |
4513845 | CIF | C11 H7 F9 Fe2 O15 S5 | P 1 21/m 1 | 6.4147; 18.5996; 11.5206 90; 104.145; 90 | 1332.85 | 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, 2559 |
4513846 | CIF | C18 H16 O | P 1 21 1 | 10.5879; 4.8182; 13.6534 90; 96.876; 90 | 691.51 | 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, 2506 |
4513847 | CIF | C18 H14 O | P 1 21 1 | 10.5044; 4.7708; 13.7318 90; 97.605; 90 | 682.11 | 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, 2506 |
4513848 | CIF | C23 H33 Co N3 O4 | P 1 21/c 1 | 8.9984; 21.6663; 12.2395 90; 90.0826; 90 | 2386.24 | 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, 2632 |
4513849 | CIF | C21 H35 Co N3 O5 | P 1 21/c 1 | 8.9806; 29.3177; 8.8612 90; 97.9533; 90 | 2310.63 | 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, 2632 |
4513850 | CIF | C22 H23 Cl Ir N3 O3 | P 1 21/c 1 | 15.229; 8.446; 17.388 90; 108.03; 90 | 2126.7 | 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, 2637 |
4513853 | CIF | C20 H38 Br Fe N3 O P2 | P 1 21 1 | 11.7189; 12.5863; 16.7721 90; 99.602; 90 | 2439.2 | 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, 2664-2672 |
4513854 | CIF | C20 H39 Fe N3 O P2 | P 1 21/c 1 | 13.7848; 11.7982; 15.4447 90; 113.332; 90 | 2306.5 | 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, 2664-2672 |
4513855 | CIF | C29 H26 F3 N3 O6 S | P 21 21 21 | 8.33; 21.758; 15.532 90; 90; 90 | 2815.08 | 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, 2689 |
4513856 | CIF | C29 H29 N3 O6 S | P 21 21 21 | 8.592; 11.328; 27.778 90; 90; 90 | 2703.64 | 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, 2689 |
4513857 | CIF | C29 H26 F3 N3 O6 S | P -1 | 10.512; 10.602; 13.589 104.085; 99.52; 91.757 | 1444.7 | 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, 2689 |
4513858 | CIF | C20 H19 N O2 | P 21 21 21 | 7.23695; 9.22435; 23.1301 90; 90; 90 | 1544.08 | 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, 2673 |
4513862 | CIF | C21 H39 Fe N3 O3 P2 | P 1 21/c 1 | 15.1403; 23.6; 14.0883 90; 96.634; 90 | 5000.2 | Bertini, Federica; Gorgas, Nikolaus; Stöger, Berthold; Peruzzini, Maurizio; Veiros, Luis F.; Kirchner, Karl; Gonsalvi, Luca Efficient and Mild Carbon Dioxide Hydrogenation to Formate Catalyzed by Fe(II) Hydrido Carbonyl Complexes Bearing 2,6-(Diaminopyridyl)diphosphine Pincer Ligands ACS Catalysis, 2016, 2889 |
4513863 | CIF | C33 H38 B Li O2 P2 S2 | P -1 | 9.0615; 10.7999; 17.4441 88.376; 79.606; 82.091 | 1663.14 | 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, 3030 |
4513864 | CIF | C29 H35 B2 Li O P2 S2 | C 1 2/c 1 | 15.4208; 14.8446; 13.1339 90; 92.9702; 90 | 3002.52 | 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, 3030 |
4513865 | CIF | C20 H20 O | P 21 21 21 | 8.4103; 8.8487; 20.8277 90; 90; 90 | 1550 | 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, 3349-3353 |
4513866 | CIF | C36 H32 O2 | P 1 21/c 1 | 9.4194; 7.0858; 19.435 90; 95.373; 90 | 1291.5 | 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, 3349-3353 |
4513867 | CIF | C20 H19 F O | P 21 21 21 | 6.489; 7.157; 32.722 90; 90; 90 | 1519.7 | 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, 3349-3353 |
4513868 | CIF | C16 H19.16 N2 O4.58 Pd | P 1 21/c 1 | 14.136; 9.529; 25.085 90; 94.09; 90 | 3370.4 | 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, 3340-3348 |
4513869 | CIF | C20 H17 N3 O5 Pd | P 1 21/n 1 | 11.06; 10.703; 15.879 90; 102.713; 90 | 1833.6 | 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, 3340-3348 |
4513870 | CIF | C22 H23 N3 O4 Pd | P 1 21/c 1 | 12.472; 8.829; 19.26 90; 90.22; 90 | 2120.8 | 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, 3340-3348 |
4513871 | CIF | C19 H26 B N O2 | P 1 21 1 | 9.8601; 17.3729; 10.9482 90; 111.164; 90 | 1748.92 | 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, 3381 |
4513872 | CIF | C51 H32 N4 O9 Zn2 | P 42/m n m | 36.0683; 36.0683; 27.0566 90; 90; 90 | 35199 | 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, 3248 |
4513873 | CIF | C15 H19 Ir N2 O6 S | P 1 21/c 1 | 8.7413; 14.2966; 15.2329 90; 98.084; 90 | 1884.75 | 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, 3418 |
4513878 | CIF | C30 H20 N2 O | P 21 21 21 | 9.0933; 20.0387; 23.2417 90; 90; 90 | 4235.05 | 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, 3531 |
4513879 | CIF | C33 H23 F3 N2 O4 | P 1 21/c 1 | 21.6794; 5.8892; 20.8559 90; 98.889; 90 | 2630.78 | 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, 3531 |
4513880 | CIF | C26 H20 N2 O | P -1 | 12.5358; 12.9306; 14.235 66.91; 68.341; 69.341 | 1913.41 | 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, 3531 |
4513881 | CIF | C27 H20 Br N O3 S | P 1 21/c 1 | 12.857; 15.123; 12.073 90; 102.04; 90 | 2295.79 | 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, 3674 |
4513882 | CIF | C35 H30 Br N3 O2 | P -1 | 10.6203; 11.0296; 13.8669 102.003; 107.216; 99.873 | 1469.68 | 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, 3708 |
4513883 | CIF | C27 H26 O3 | P 1 21/c 1 | 14.1082; 18.267; 8.1718 90; 96.84; 90 | 2091 | 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, 3738 |
4513884 | CIF | C24 H21 N O2 | P 1 21/c 1 | 12.787; 12.7131; 12.427 90; 114.445; 90 | 1839.1 | 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, 3856 |
4513885 | CIF | C22 H18 Br N | P 1 21/n 1 | 9.67; 19.62; 9.9545 90; 112.567; 90 | 1744 | 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, 3856 |
4513886 | CIF | C14 H16 F3 N3 O3 | P 21 21 21 | 4.8832; 15.6825; 19.696 90; 90; 90 | 1508.34 | 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, 4189 |
4513887 | CIF | C20 H13 N O2 | P b c n | 11.5615; 11.966; 21.75 90; 90; 90 | 3009 | 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, 4248 |
4513888 | CIF | C9 H18 Cl N3 Si | P 1 21/n 1 | 7.3619; 15.6139; 10.5158 90; 95.783; 90 | 1202.62 | von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T. Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs ACS Catalysis, 2016, 4526 |
4513889 | CIF | C13 H26 Cl N3 Si | P 1 21/n 1 | 9.2603; 12.2644; 14.0949 90; 101.148; 90 | 1570.58 | von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T. Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs ACS Catalysis, 2016, 4526 |
4513890 | CIF | C70 H44 B2 F40 N6 O2 Si2 | C 1 2/c 1 | 10.4208; 32.2781; 20.9281 90; 91.711; 90 | 7036.3 | von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T. Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs ACS Catalysis, 2016, 4526 |
4513891 | CIF | C22 H36 F12 N8 O8 S4 Si2 | P b c a | 17.0441; 17.1344; 26.8405 90; 90; 90 | 7838.5 | von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T. Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs ACS Catalysis, 2016, 4526 |
4513892 | CIF | C12.5 H20.5 Cl N3.5 O2 Si | P 1 21 1 | 8.6635; 9.8107; 9.9624 90; 92.613; 90 | 845.87 | von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T. Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs ACS Catalysis, 2016, 4526 |
4513893 | CIF | C34 H18 B F20 N3 O2 Si | P -1 | 7.9383; 13.9155; 16.4838 75.2; 84.476; 76.031 | 1707.3 | von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T. Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs ACS Catalysis, 2016, 4526 |
4513894 | CIF | C19 H23 N3 Si | P 1 21 1 | 8.5953; 8.5523; 11.7943 90; 92.704; 90 | 866.03 | von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T. Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs ACS Catalysis, 2016, 4526 |
4513895 | CIF | C20 H24 Cl2 Ir N3 | P 21 21 21 | 9.263; 13.429; 17.935 90; 90; 90 | 2231 | 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, 4559 |
4513899 | CIF | C69 H64 Cl2 Co F51 N7 O5 | P 1 21/c 1 | 24.5991; 14.5605; 25.6393 90; 106.121; 90 | 8822.2 | 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, 4647 |
4513900 | CIF | C29 H20 N O3 S | P -1 | 9.8908; 10.8195; 12.6228 82.7016; 87.4478; 81.7877 | 1325.65 | 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, 4914 |
4513901 | CIF | C25 H22 N2 O6 S | P -1 | 6.3051; 8.242; 21.9792 90.797; 96.108; 96.816 | 1127.27 | 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, 4914 |
4513902 | CIF | C32 H48.9 Cl3 Co2 N8 O16.71 | P 1 21/c 1 | 18.2143; 12.64794; 19.337 90; 111.871; 90 | 4134.1 | Wang, Jia-Wei; Sahoo, Pathik; Lu, Tong-Bu Reinvestigation of Water Oxidation Catalyzed by a Dinuclear Cobalt Polypyridine Complex: Identification of CoOxas a Real Heterogeneous Catalyst ACS Catalysis, 2016, 5062 |
4513903 | CIF | C51 H66 Cl2 N2 O2 Ti | P 1 21/c 1 | 13.4223; 15.5169; 23.9951 90; 104.683; 90 | 4834.3 | 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, 5138 |
4513904 | CIF | C20 H24 I Ir N2 | P 1 21/c 1 | 13.683; 8.7527; 16.3494 90; 102.176; 90 | 1914 | 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, 5132 |
4513905 | CIF | C26 H30 I Ir N2 O4 | P 1 21/n 1 | 10.646; 17.272; 14.564 90; 101.437; 90 | 2624.8 | 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, 5132 |
4513906 | CIF | C26 H30 I N2 O4 Rh | P 1 21/n 1 | 10.6334; 17.2916; 14.4816 90; 101.307; 90 | 2611 | 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, 5132 |
4513907 | CIF | C16 H30 Ca O12 | C 1 2 1 | 19.697; 5.855; 9.532 90; 95.8; 90 | 1093.7 | Petrus, Rafał; Bykowski, Dominik; Sobota, Piotr Solvothermal Alcoholysis Routes for Recycling Polylactide Waste as Lactic Acid Esters ACS Catalysis, 2016, 6, 5222 |
4513908 | CIF | C20 H40 Ca Cl2 O12 | P 1 | 8.768; 9.508; 10.629 97.45; 100.88; 117.39 | 748.4 | Petrus, Rafał; Bykowski, Dominik; Sobota, Piotr Solvothermal Alcoholysis Routes for Recycling Polylactide Waste as Lactic Acid Esters ACS Catalysis, 2016, 6, 5222 |
4513910 | CIF | C4 H12 Cl2 O2 Pd S2 | P 1 21/n 1 | 6.266; 9.3515; 9.3563 90; 108.635; 90 | 519.5 | Vemula, Sandeep R.; Kumar, Dinesh; Cook, Gregory R. Palladium-Catalyzed Allylic Amidation with N-Heterocycles via sp3C‒H Oxidation ACS Catalysis, 2016, 6, 5295 |
4513911 | CIF | C18 H15 Cl2 Pd2 | P 1 21/n 1 | 10.1578; 10.4643; 16.6141 90; 90.274; 90 | 1765.96 | Vemula, Sandeep R.; Kumar, Dinesh; Cook, Gregory R. Palladium-Catalyzed Allylic Amidation with N-Heterocycles via sp3C‒H Oxidation ACS Catalysis, 2016, 6, 5295 |
4513912 | CIF | C23 H22 N2 O | P 21 21 21 | 8.9213; 9.9325; 20.8095 90; 90; 90 | 1843.95 | 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, 5307 |
4513917 | CIF | C29 H22 N2 O | P 1 21/n 1 | 13.936; 8.669; 18.401 90; 104.393; 90 | 2153 | Maity, Soham; Kancherla, Rajesh; Dhawa, Uttam; Hoque, Ehtasimul; Pimparkar, Sandeep; Maiti, Debabrata Switch to Allylic Selectivity in Cobalt-Catalyzed Dehydrogenative Heck Reactions with Unbiased Aliphatic Olefins ACS Catalysis, 2016, 5493 |
4513918 | CIF | C14 H14 Cl4 N8 Pd2 | P 1 21/n 1 | 10.3908; 11.9666; 17.1508 90; 106.646; 90 | 2043.2 | 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, 5535 |
4513919 | CIF | C20 H18 Cl4 N8 Pd2 | C 1 2/c 1 | 13.098; 14.599; 14.668 90; 113.234; 90 | 2577.3 | 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, 5535 |
4513920 | CIF | C20 H18 Cl4 N8 Pd2 | P -1 | 7.602; 8.298; 10.7372 99.281; 104.335; 102.182 | 624.94 | 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, 5535 |
4513921 | CIF | C15 H18 Cl N3 Ni O | C 1 2/c 1 | 14.6259; 13.2292; 16.0114 90; 101.154; 90 | 3039.51 | 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, 5666 |
4513922 | CIF | C17 H22 N3 Ni O3.5 | P 1 21/c 1 | 15.7724; 14.0286; 16.1653 90; 101.236; 90 | 3508.25 | 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, 5666 |
4513923 | CIF | C22 H33 B F4 P Rh | C 1 2/c 1 | 26.861; 7.7454; 21.4543 90; 97.763; 90 | 4422.6 | Strom, Alexandra E.; Balcells, David; Hartwig, John F. Synthetic and Computational Studies on the Rhodium-Catalyzed Hydroamination of Aminoalkenes ACS Catalysis, 2016, 6, 5651 |
4513924 | CIF | C26 H35 B F4 P Rh | P -1 | 10.927; 14.743; 15.848 106.91; 90.715; 94.619 | 2433 | Strom, Alexandra E.; Balcells, David; Hartwig, John F. Synthetic and Computational Studies on the Rhodium-Catalyzed Hydroamination of Aminoalkenes ACS Catalysis, 2016, 6, 5651 |
4513925 | CIF | C22 H35 B F4 P Rh | P -1 | 10.1423; 10.3515; 12.0166 91.342; 100.981; 115.42 | 1110.7 | Strom, Alexandra E.; Balcells, David; Hartwig, John F. Synthetic and Computational Studies on the Rhodium-Catalyzed Hydroamination of Aminoalkenes ACS Catalysis, 2016, 6, 5651 |
4513926 | CIF | C21 H20 Cl N3 O4 | P 1 21 1 | 9.48; 5.679; 19.061 90; 100.77; 90 | 1008.1 | 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, 5685 |
4513927 | CIF | C21 H20 Cl N3 O4 | P 21 21 21 | 7.1807; 13.199; 19.659 90; 90; 90 | 1863.2 | 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, 5685 |
4513928 | CIF | C17 H14 O2 | P 21 21 21 | 8.6908; 10.3574; 13.9701 90; 90; 90 | 1257.51 | 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, 5735 |
4513930 | CIF | C39 H70 O2 P2 Pd2 | P 1 21/c 1 | 9.7885; 32.8507; 26.2822 90; 93.385; 90 | 8436.5 | 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, 5834 |
4513931 | CIF | C13 H24 N2 O3 | C 1 c 1 | 17.0431; 25.6881; 10.2924 90; 90.01; 90 | 4506.1 | Kim, Hyunwoo; Park, Gyeongtae; Park, Juhyeon; Chang, Sukbok A Facile Access to Primary Alkylamines and Anilines via Ir(III)-Catalyzed C‒H Amidation Using Azidoformates ACS Catalysis, 2016, 5922 |
4513932 | CIF | C28 H32 F6 N2 O3 Rh S Sb | P 1 21/c 1 | 13.8177; 16.467; 14.0445 90; 109.613; 90 | 3010.2 | 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, 5930 |
4513933 | CIF | C28 H24 Cl3 N3 O7 S | P 1 | 9.8739; 10.6233; 13.8412 86.937; 77.911; 89.004 | 1417.6 | 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, 5930 |
4513934 | CIF | C22 H18 N2 O4 S2 | P 1 21/c 1 | 17.653; 12.7; 9.4888 90; 93.31; 90 | 2123.8 | 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, 6055 |
4513935 | CIF | C29 H25 N O5 | P -1 | 9.2103; 9.7574; 14.5275 75.23; 88.275; 69.461 | 1179.64 | 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, 6146 |
4513936 | CIF | C20 H20 I2 N2 | P 21 21 21 | 8.0059; 12.7607; 18.742 90; 90; 90 | 1914.7 | Yu, Xiao-Long; Kuang, Liping; Chen, Su; Zhu, Xiao-Long; Li, Zhong-Liang; Tan, Bin; Liu, Xin-Yuan Counteranion-Controlled Unprecedented Diastereo- and Enantioselective Tandem Formal Povarov Reaction for Construction of Bioactive Octahydro-Dipyrroloquinolines ACS Catalysis, 2016, 6182 |
4513938 | CIF | C25 H31 Cl O2 | P 1 21 1 | 9.842; 11.556; 9.8592 90; 97.807; 90 | 1110.9 | Ma, Chao; Huang, Yuan; Zhao, Yu Stereoselective 1,6-Conjugate Addition/Annulation ofpara-Quinone Methides with Vinyl Epoxides/Cyclopropanes ACS Catalysis, 2016, 6, 6408 |
4513939 | CIF | C39 H46 B2 F8 Fe N4 P2 | P 1 21 1 | 10.9646; 16.3287; 11.9006 90; 110.493; 90 | 1995.8 | Bigler, Raphael; Huber, Raffael; Stöckli, Marco; Mezzetti, Antonio Iron(II)/(NH)2P2Macrocycles: Modular, Highly Enantioselective Transfer Hydrogenation Catalysts ACS Catalysis, 2016, 6, 6455 |
4513940 | CIF | C59 H74 B2 Cl4 F8 Fe N4 P2 | P 1 | 10.4939; 10.7859; 13.5065 101.154; 92.256; 102.353 | 1459.9 | Bigler, Raphael; Huber, Raffael; Stöckli, Marco; Mezzetti, Antonio Iron(II)/(NH)2P2Macrocycles: Modular, Highly Enantioselective Transfer Hydrogenation Catalysts ACS Catalysis, 2016, 6, 6455 |
4513941 | CIF | C65.5 H33.5 Co F10 N6.5 O1.71 | P 1 21/c 1 | 17.3254; 30.92; 23.005 90; 90.359; 90 | 12323.6 | 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, 6429 |
4513942 | CIF | C22 H32 Au F6 N4 Sb | P 1 21/c 1 | 8.4122; 11.7102; 14.7141 90; 103.893; 90 | 1407.06 | 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, 6537 |
4513943 | CIF | C55 H51 B2 F20 N O Zr | P 1 21/n 1 | 10.6797; 38.6444; 25.5186 90; 94.5702; 90 | 10498.3 | 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, 6601 |
4513944 | CIF | C62 H61.5 B2 Cl0.5 F20 N O Zr | P -1 | 10.8416; 16.5385; 18.9008 68.2519; 74.0118; 72.1388 | 2945.45 | 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, 6601 |
4513945 | CIF | C60 H51 B F20 N2 O Zr | P c a 21 | 17.1305; 10.7085; 29.9187 90; 90; 90 | 5488.3 | 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, 6601 |
4513946 | CIF | C20 H25 N O2 | P 1 21 1 | 9.419; 8.8409; 11.6624 90; 112.966; 90 | 894.18 | Zhang, Heyi; Lu, Zhan Dual-Stereocontrol Asymmetric Cobalt-Catalyzed Hydroboration of Sterically Hindered Styrenes ACS Catalysis, 2016, 6, 6596 |
4513948 | CIF | C25 H38 B3 Cl2 I N12 Ni2 | P -1 | 12.3061; 12.6455; 13.1675 78.8847; 71.0045; 87.4156 | 1900.8 | Lu, Zhiyao; Williams, Travis J. Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions ACS Catalysis, 2016, 6, 6670 |
4513949 | CIF | C59 H68 Cl2 N8 Ni3 O4 | P 1 21/c 1 | 22.9867; 8.2956; 32.6131 90; 109.922; 90 | 5846.8 | Lu, Zhiyao; Williams, Travis J. Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions ACS Catalysis, 2016, 6, 6670 |
4513950 | CIF | C24 H30 B I N4 | P 1 21/m 1 | 8.2687; 19.3361; 8.7596 90; 115.029; 90 | 1269.01 | Lu, Zhiyao; Williams, Travis J. Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions ACS Catalysis, 2016, 6, 6670 |
4513951 | CIF | C40 H55 Cl N4 Ni O0 | P 1 21 1 | 9.586; 12.006; 18.204 90; 96.216; 90 | 2082.8 | Pu, Xinghui; Hu, Jiefeng; Zhao, Yue; Shi, Zhuangzhi Nickel-Catalyzed Decarbonylative Borylation and Silylation of Esters ACS Catalysis, 2016, 6, 6692 |
4513952 | CIF | C42 H57 Cl3 N4 Ni O | P n a 21 | 12.7494; 28.039; 11.5771 90; 90; 90 | 4138.6 | Pu, Xinghui; Hu, Jiefeng; Zhao, Yue; Shi, Zhuangzhi Nickel-Catalyzed Decarbonylative Borylation and Silylation of Esters ACS Catalysis, 2016, 6, 6692 |
4513953 | CIF | C24 H55 Cl P2 Pd | C 1 2/c 1 | 45.941; 8.7162; 14.6019 90; 102.274; 90 | 5713.4 | Hu, Yue; Shen, Zhiqiang; Huang, Hanmin Palladium-Catalyzed Intramolecular Hydroaminocarbonylation to Lactams: Additive-Free Protocol Initiated by Palladium Hydride ACS Catalysis, 2016, 6, 6785 |
4513954 | CIF | C10 H8 N O2 | P 1 21/c 1 | 4.5967; 12.2704; 15.393 90; 94.473; 90 | 865.6 | Hu, Yue; Shen, Zhiqiang; Huang, Hanmin Palladium-Catalyzed Intramolecular Hydroaminocarbonylation to Lactams: Additive-Free Protocol Initiated by Palladium Hydride ACS Catalysis, 2016, 6, 6785 |
4513955 | CIF | C16 H15 N O | P 1 | 4.6759; 11.637; 12.148 101.704; 94.481; 97.981 | 637.1 | Hu, Yue; Shen, Zhiqiang; Huang, Hanmin Palladium-Catalyzed Intramolecular Hydroaminocarbonylation to Lactams: Additive-Free Protocol Initiated by Palladium Hydride ACS Catalysis, 2016, 6, 6785 |
4513956 | CIF | C25 H24 Br O2 P | P 1 21/n 1 | 14.349; 9.776; 16.959 90; 108.332; 90 | 2258 | 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, 6906 |
4513958 | CIF | C16 H15 Br O4 S | P 1 21 1 | 8.8773; 7.1193; 14.0576 90; 103.929; 90 | 862.32 | Tan, Fei; Liu, Xiaohua; Hao, Xiaoyu; Tang, Yu; Lin, Lili; Feng, Xiaoming Asymmetric Catalytic Insertion of α-Diazo Carbonyl Compounds into O‒H Bonds of Carboxylic Acids ACS Catalysis, 2016, 6930 |
4513960 | CIF | C11 H13 N O3 S | P 1 21/c 1 | 9.45565; 18.07717; 13.18336 90; 103.903; 90 | 2187.43 | Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination ACS Catalysis, 2016, 6, 7183 |
4513961 | CIF | C17 H18 N2 O4 S | P 1 21/c 1 | 11.81121; 8.41417; 16.5698 90; 90.8215; 90 | 1646.56 | Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination ACS Catalysis, 2016, 6, 7183 |
4513962 | CIF | C19 H17 N O4 S | P 1 21/c 1 | 10.28582; 9.52978; 16.564 90; 90.4024; 90 | 1623.59 | Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination ACS Catalysis, 2016, 6, 7183 |
4513963 | CIF | C18 H19 N O4 S | P 21 21 21 | 5.45149; 15.7094; 38.6948 90; 90; 90 | 3313.81 | Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination ACS Catalysis, 2016, 6, 7183 |
4513967 | CIF | C61.75 H82.75 Au3 B Cl5.25 F4 O P3 | P n a 21 | 25.4511; 14.4307; 18.9787 90; 90; 90 | 6970.4 | Zhu, Yuyang; Zhou, Wentong; Petryna, Ellen M.; Rogers, Brock R.; Day, Cynthia S.; Jones, Amanda C. Insights into Alkene Activation by Gold: Nucleophile Activation with Base as a Trigger for Generation of Lewis Acidic Gold ACS Catalysis, 2016, 7357 |
4513968 | CIF | C45 H55 Au Cl2 N2 O | P -1 | 9.1823; 9.5417; 26.1911 90.453; 90.84; 114.659 | 2084.99 | Zhu, Yuyang; Zhou, Wentong; Petryna, Ellen M.; Rogers, Brock R.; Day, Cynthia S.; Jones, Amanda C. Insights into Alkene Activation by Gold: Nucleophile Activation with Base as a Trigger for Generation of Lewis Acidic Gold ACS Catalysis, 2016, 7357 |
4513969 | CIF | C35 H32 Au O P | P 1 21/c 1 | 16.333; 8.8197; 19.533 90; 90.342; 90 | 2813.7 | Zhu, Yuyang; Zhou, Wentong; Petryna, Ellen M.; Rogers, Brock R.; Day, Cynthia S.; Jones, Amanda C. Insights into Alkene Activation by Gold: Nucleophile Activation with Base as a Trigger for Generation of Lewis Acidic Gold ACS Catalysis, 2016, 7357 |
4513970 | CIF | C84 H84 Cd2 N4 O16 V2 | P 2 2 21 | 34.388; 34.853; 13.3846 90; 90; 90 | 16041.8 | 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, 7590 |
4513971 | CIF | C84 H84 Cd2 Cu N4 O16 V | P 2 2 21 | 33.9506; 35.3214; 13.4377 90; 90; 90 | 16114.3 | 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, 7590 |
4513972 | CIF | C22 H16 Cl N | P 21 21 21 | 6.0503; 14.698; 18.444 90; 90; 90 | 1640.2 | 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, 7652 |
4513973 | CIF | C23 H19 N O | P 21 21 21 | 5.7336; 16.8181; 17.4381 90; 90; 90 | 1681.53 | 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, 7652 |
4513974 | CIF | C45 H37 Cl O P2 Pd | P 1 21/n 1 | 11.0213; 23.615; 16.094 90; 105.537; 90 | 4035.7 | 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, 7784 |
4513975 | CIF | C11 H13 Br O2 S | P 1 21 1 | 9.6991; 9.587; 13.7942 90; 105.113; 90 | 1238.29 | 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, 7778 |
4513976 | CIF | C20 H21 Br O2 | P 1 21 1 | 5.4678; 8.6283; 18.6625 90; 91.41; 90 | 880.19 | 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, 7778 |
4513977 | CIF | C16 H15 Br O2 | P 1 21 1 | 8.8973; 6.9477; 12.2822 90; 100.56; 90 | 746.37 | 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, 7778 |
4513978 | CIF | C14 H16 Cl3 Ir N2 O5 | P -1 | 9.1361; 10.454; 10.987 109.018; 100.334; 109.417 | 885.6 | Abril, Paula; del R\?ío, M. Pilar; Tejel, Cristina; Verhoeven, Tiny W. G. M.; Niemantsverdriet, J. W. Hans; Van der Ham, Cornelis J. M.; Kottrup, Konstantin G.; Hetterscheid, Dennis G. H. Detangling Catalyst Modification Reactions from the Oxygen Evolution Reaction by Online Mass Spectrometry ACS Catalysis, 2016, 7872 |
4513979 | CIF | C51 H71 Cu Fe N2 O3 Si2 | P -1 | 10.7287; 11.7933; 20.5611 100.143; 97.14; 93.382 | 2532.29 | 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, 7855 |
4513980 | CIF | C52 H63 Cu D6 Fe N2 O3 | P 1 21/n 1 | 11.9549; 10.1772; 40.3744 90; 95.356; 90 | 4890.8 | 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, 7855 |
4513981 | CIF | C34 H51 Fe N2 P | C 1 2/c 1 | 20.4853; 14.08083; 22.6949 90; 95.5664; 90 | 6515.47 | 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, 7892 |
4513982 | CIF | C34 H36 Cl2 N P Ti | P b c a | 8.463; 20.965; 35.984 90; 90; 90 | 6385 | Ehm, Christian; Cipullo, Roberta; Passaro, Miriana; Zaccaria, Francesco; Budzelaar, Peter H. M.; Busico, Vincenzo Chain Transfer to Solvent in Propene Polymerization with Ti Cp-phosphinimide Catalysts: Evidence for Chain Termination via Ti‒C Bond Homolysis ACS Catalysis, 2016, 7989 |
4513983 | CIF | C60.38 H57 Cl1.75 N4 O9 | C 1 2 1 | 33.03; 14.5141; 23.743 90; 106.097; 90 | 10936.1 | Ma, Chao; Huang, Yuan; Zhao, Yu Stereoselective 1,6-Conjugate Addition/Annulation ofpara-Quinone Methides with Vinyl Epoxides/Cyclopropanes ACS Catalysis, 2016, 6, 6408 |
4513984 | CIF | C24 H24 Cl N3 O2 | P 21 21 21 | 10.405; 14.2652; 14.6935 90; 90; 90 | 2180.95 | 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, 6473 |
4513985 | CIF | C16 H24 I2 N8 Ni | P -1 | 8.3462; 8.4556; 8.796 113.763; 101.75; 91.594 | 552.02 | Lu, Zhiyao; Williams, Travis J. Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions ACS Catalysis, 2016, 6, 6670 |
4513986 | CIF | C16 H24 B2 N8 Ni | P 1 21/n 1 | 6.8569; 16.0355; 8.668 90; 98.926; 90 | 941.54 | Lu, Zhiyao; Williams, Travis J. Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions ACS Catalysis, 2016, 6, 6670 |
4513987 | CIF | C22 H24 O6 | P 1 21/c 1 | 12.7894; 10.6893; 14.2151 90; 99.57; 90 | 1916.3 | Liu, Yuliang; Zhang, Mingfu; Tung, Chen-Ho; Wang, Yifeng TiO2 Photocatalytic Cyclization Reactions for the Syntheses of Aryltetralones ACS Catalysis, 2016, 8389 |
4513988 | CIF | C18 H18 O3 | P 1 21/c 1 | 12.469; 13.936; 8.2701 90; 96.849; 90 | 1426.8 | Liu, Yuliang; Zhang, Mingfu; Tung, Chen-Ho; Wang, Yifeng TiO2 Photocatalytic Cyclization Reactions for the Syntheses of Aryltetralones ACS Catalysis, 2016, 8389 |
4513990 | CIF | C30 H30 O4 P2 | P 1 21/c 1 | 24.0185; 5.3968; 20.965 90; 94.688; 90 | 2708.46 | Ilies, Laurean; Itabashi, Yuki; Shang, Rui; Nakamura, Eiichi Iron/Zinc-Co-catalyzed Directed Arylation and Alkenylation of C(sp3)‒H Bonds with Organoborates ACS Catalysis, 2016, 89 |
4513993 | CIF | C30 H30 Ni O2 P2 | I 1 2/a 1 | 18.9022; 9.9937; 43.3265 90; 91.431; 90 | 8181.9 | Dey, Aniruddha; Sasmal, Sheuli; Seth, Kapileswar; Lahiri, Goutam Kumar; Maiti, Debabrata Nickel-Catalyzed Deamidative Step-Down Reduction of Amides to Aromatic Hydrocarbons ACS Catalysis, 2016, 433 |
4513994 | CIF | C46 H52 Cu2 N10 | P 21 21 21 | 15.431; 16.964; 23.348 90; 90; 90 | 6112 | Trose, Michael; Lazreg, Faïma; Chang, Tao; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J. Neutral Dinuclear Copper(I)-NHC Complexes: Synthesis and Application in the Hydrosilylation of Ketones ACS Catalysis, 2017, 7, 238 |
4513995 | CIF | C18 H20 Br Cl O4 | P -1 | 8.6779; 9.0204; 12.802 92.405; 96.467; 113.588 | 908.37 | Gao, Yuzhen; Zhang, Pengbo; Ji, Zhe; Tang, Guo; Zhao, Yufen Copper-Catalyzed Cascade Radical Addition‒Cyclization Halogen Atom Transfer between Alkynes and Unsaturated α-Halogenocarbonyls ACS Catalysis, 2016, 186 |
4513996 | CIF | C16 H17 Br O5 | P 21 21 21 | 9.4351; 12.256; 13.14 90; 90; 90 | 1519.5 | Uyanik, Muhammet; Sasakura, Niiha; Mizuno, Masahiro; Ishihara, Kazuaki Enantioselective Synthesis of Masked Benzoquinones Using Designer Chiral Hypervalent Organoiodine(III) Catalysis ACS Catalysis, 2016, 872 |
4513997 | CIF | C15 H13 N O | P b c a | 10.2112; 7.7666; 27.5135 90; 90; 90 | 2182 | Potter, Tyler J.; Kamber, David N.; Mercado, Brandon Q.; Ellman, Jonathan A. Rh(III)-Catalyzed Aryl and Alkenyl C‒H Bond Addition to Diverse Nitroalkenes ACS Catalysis, 2016, 150 |
4513998 | CIF | C31 H36 B N O4 S | P -1 | 10.9835; 12.2187; 13.4045 62.987; 70.987; 71.821 | 1486.2 | Xi, Tuo; Lu, Zhan Cobalt-Catalyzed Ligand-Controlled Regioselective Hydroboration/Cyclization of 1,6-Enynes ACS Catalysis, 2017, 1181 |
4513999 | CIF | C25 H39 Cl F3 Ir N O3 P S | P 1 21/c 1 | 8.1455; 16.5588; 20.962 90; 94.132; 90 | 2820 | Celaje, Jeff Joseph A.; Zhang, Xingyue; Zhang, Forrest; Kam, Lisa; Herron, Jessica R.; Williams, Travis J. A Base and Solvent-Free Ruthenium-Catalyzed Alkylation of Amines ACS Catalysis, 2017, 7, 1136 |
4514003 | CIF | C53 H50 Ni O5 P2 S Si | P -1 | 12.3423; 19.324; 21.3802 88.813; 82.852; 76.64 | 4922.5 | Chen, Min; Chen, Changle Rational Design of High-Performance Phosphine Sulfonate Nickel Catalysts for Ethylene Polymerization and Copolymerization with Polar Monomers ACS Catalysis, 2017, 1308 |
4514007 | CIF | C15 H32 N2 O3 | P 21 21 21 | 9.6788; 11.2486; 16.793 90; 90; 90 | 1828.3 | Cañellas, Santiago; Ayats, Carles; Henseler, Andrea H.; Pericàs, Miquel A. A Highly Active Polymer-Supported Catalyst for Asymmetric Robinson Annulations in Continuous Flow ACS Catalysis, 2017 |
4514008 | CIF | C17 H24 N O3 S | P 1 21 1 | 9.0973; 8.2011; 22.9008 90; 99.357; 90 | 1685.85 | Feng, Jian-Jun; Zhang, Junliang Rhodium-Catalyzed Stereoselective Intramolecular Tandem Reaction of Vinyloxiranes with Alkynes: Atom- and Step-Economical Synthesis of Multifunctional Mono-, Bi-, and Tricyclic Compounds ACS Catalysis, 2017, 7, 1533 |
4514010 | CIF | C54 H46 Al F15 N3 O Re | P -1 | 12.546; 14.078; 17.037 67.591; 72.379; 69.555 | 2556.2 | Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A. Tuning Catalytic Activity in the Hydrogenation of Unactivated Olefins with Transition-Metal Oxos as the Lewis Base Component of Frustrated Lewis Pairs ACS Catalysis, 2017, 7, 1170 |
4514011 | CIF | C37.5 H47 Cl N3 O Re | P 1 21/n 1 | 15.6648; 13.4862; 17.082 90; 105.914; 90 | 3470.4 | Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A. Tuning Catalytic Activity in the Hydrogenation of Unactivated Olefins with Transition-Metal Oxos as the Lewis Base Component of Frustrated Lewis Pairs ACS Catalysis, 2017, 7, 1170 |
4514012 | CIF | C28 H27 N3 O8 S2 | C 1 c 1 | 16.946; 13.855; 12.2464 90; 100.543; 90 | 2826.8 | Rivinoja, Daniel J.; Gee, Yi Sing; Gardiner, Michael G.; Ryan, John H.; Hyland, Christopher J. T. The Diastereoselective Synthesis of Pyrroloindolines by Pd-Catalyzed Dearomative Cycloaddition of 1-Tosyl-2-vinylaziridine to 3-Nitroindoles ACS Catalysis, 2017, 7, 1053 |
4514013 | CIF | C25 H24 O3 | P 21 21 21 | 6.72474; 16.401; 17.4977 90; 90; 90 | 1929.86 | James, Jinju; Guiry, Patrick J. Highly Enantioselective Construction of Sterically Hindered α-Allyl-α-Aryl Lactones via Palladium-Catalyzed Decarboxylative Asymmetric Allylic Alkylation ACS Catalysis, 2017, 7, 1397 |
4514014 | CIF | C16 H13 Au Cl5 N O2 | P -1 | 8.2785; 8.9703; 14.5673 76.336; 87.282; 65.557 | 955.4 | Tomás-Mendivil, Eder; Heinrich, Clément F.; Ortuno, Jean-Claude; Starck, Jérôme; Michelet, Véronique Gold-Catalyzed Access to 1H-Isochromenes: Reaction Development and Mechanistic Insight ACS Catalysis, 2017, 7, 380 |
4514015 | CIF | C17 H19 F3 I N O3 | C 1 2/c 1 | 47.1143; 4.86847; 16.0241 90; 97.7446; 90 | 3641.99 | Shen, Yangyang; Cornella, Josep; Juliá-Hernández, Francisco; Martin, Ruben Visible-Light-Promoted Atom Transfer Radical Cyclization of Unactivated Alkyl Iodides ACS Catalysis, 2017, 7, 409 |
4514016 | CIF | C46 H56 Cu2 N10 | P 1 21/c 1 | 11.3017; 13.5088; 14.966 90; 108.686; 90 | 2164.5 | Trose, Michael; Lazreg, Faïma; Chang, Tao; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J. Neutral Dinuclear Copper(I)-NHC Complexes: Synthesis and Application in the Hydrosilylation of Ketones ACS Catalysis, 2017, 7, 238 |
4514017 | CIF | C35 H54 Cl2 Cu2 N10 | I 41/a | 20.4817; 20.4817; 21.6349 90; 90; 90 | 9075.8 | Trose, Michael; Lazreg, Faïma; Chang, Tao; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J. Neutral Dinuclear Copper(I)-NHC Complexes: Synthesis and Application in the Hydrosilylation of Ketones ACS Catalysis, 2017, 7, 238 |
4514023 | CIF | C78 H65 Cl F6 P5 Pd3 Sb | P 1 21/c 1 | 15.3747; 16.9302; 27.578 90; 93.07; 90 | 7168.2 | Fu, Fangyu; Xiang, Ji; Cheng, Hao; Cheng, Longjiu; Chong, Hanbao; Wang, Shuxin; Li, Peng; Wei, Shiqiang; Zhu, Manzhou; Li, Yadong A Robust and Efficient Pd3 Cluster Catalyst for the Suzuki Reaction and Its Odd Mechanism ACS Catalysis, 2017, 7, 1860 |
4514024 | CIF | C94 H118 Ge2 N2 O Si2 | C 1 2/c 1 | 24.283; 21.152; 17.759 90; 114.38; 90 | 8308 | Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido‒Germanium(II) and −Tin(II) Hydride Complexes ACS Catalysis, 2017, 7, 1853 |
4514025 | CIF | C52 H69 B N O3.5 Si Sn | P -1 | 10.1191; 12.9066; 18.7646 88.763; 86.92; 85.612 | 2439.63 | Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido‒Germanium(II) and −Tin(II) Hydride Complexes ACS Catalysis, 2017, 7, 1853 |
4514026 | CIF | C45 H53 N O2 Si Sn | P -1 | 9.99; 11.36; 18.89 86.59; 85.63; 67.69 | 1976.4 | Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido‒Germanium(II) and −Tin(II) Hydride Complexes ACS Catalysis, 2017, 7, 1853 |
4514027 | CIF | C15 H23 N3 O3 | P b c a | 16.5344; 9.4279; 20.9981 90; 90; 90 | 3273.3 | Bai, He-Yuan; Ma, Zhi-Gang; Yi, Min; Lin, Jun-Bing; Zhang, Shu-Yu Palladium-Catalyzed Direct Intermolecular Amination of Unactivated Methylene C(sp3)‒H Bonds with Azodiformates via Bidentate-Chelation Assistance ACS Catalysis, 2017, 7, 2042 |
4514028 | CIF | C56.25 H50.5 F12 N10 O4.75 P2 Ru2 | C 1 2/c 1 | 23.6464; 24.1857; 24.249 90; 116.899; 90 | 12367.7 | Odrobina, Jann; Scholz, Julius; Pannwitz, Andrea; Francàs, Laia; Dechert, Sebastian; Llobet, Antoni; Jooss, Christian; Meyer, Franc Backbone Immobilization of the Bis(bipyridyl)pyrazolate Diruthenium Catalyst for Electrochemical Water Oxidation ACS Catalysis, 2017, 7, 2116 |
4514029 | CIF | C61 H60 F12 N10 O7 P2 Ru2 | C 1 2/c 1 | 18.7376; 22.1944; 15.7519 90; 90.788; 90 | 6550.1 | Odrobina, Jann; Scholz, Julius; Pannwitz, Andrea; Francàs, Laia; Dechert, Sebastian; Llobet, Antoni; Jooss, Christian; Meyer, Franc Backbone Immobilization of the Bis(bipyridyl)pyrazolate Diruthenium Catalyst for Electrochemical Water Oxidation ACS Catalysis, 2017, 7, 2116 |
4514030 | CIF | C42 H36 F2 Fe Ni P2 S | P -1 | 11.2326; 11.336; 16.1197 78.107; 72.51; 67.279 | 1796.3 | Kalvet, Indrek; Guo, Qianqian; Tizzard, Graham J.; Schoenebeck, Franziska When Weaker Can Be Tougher: The Role of Oxidation State (I) in P- vs N-Ligand-Derived Ni-Catalyzed Trifluoromethylthiolation of Aryl Halides. ACS catalysis, 2017, 7, 2126-2132 |
4514031 | CIF | C40 H34 Fe I2 Ni P2 | P -1 | 8.9532; 10.0303; 20.4331 91.917; 99.127; 94.971 | 1802.83 | Kalvet, Indrek; Guo, Qianqian; Tizzard, Graham J.; Schoenebeck, Franziska When Weaker Can Be Tougher: The Role of Oxidation State (I) in P- vs N-Ligand-Derived Ni-Catalyzed Trifluoromethylthiolation of Aryl Halides. ACS catalysis, 2017, 7, 2126-2132 |
4514037 | CIF | C54.5 H45 Ag4 Cl5 O10 | P 1 21/n 1 | 11.2473; 18.5148; 26.3786 90; 97.2988; 90 | 5448.6 | Zhou, Zhen; He, Cheng; Yang, Lu; Wang, Yefei; Liu, Tao; Duan, Chunying Alkyne Activation by a Porous Silver Coordination Polymer for Heterogeneous Catalysis of Carbon Dioxide Cycloaddition ACS Catalysis, 2017, 7, 2248 |
4514038 | CIF | C15 H12 Ag2 O6 | C 1 2/c 1 | 26.064; 19.397; 11.0996 90; 97.166; 90 | 5567.7 | Zhou, Zhen; He, Cheng; Yang, Lu; Wang, Yefei; Liu, Tao; Duan, Chunying Alkyne Activation by a Porous Silver Coordination Polymer for Heterogeneous Catalysis of Carbon Dioxide Cycloaddition ACS Catalysis, 2017, 7, 2248 |
4514039 | CIF | C44 H30 F5 N2 P | P 1 21 1 | 12.3621; 45.6111; 12.6667 90; 97.7659; 90 | 7076.6 | Rokade, Balaji V.; Guiry, Patrick J. Diastereofacial π-Stacking as an Approach To Access an Axially Chiral P,N-Ligand for Asymmetric Catalysis ACS Catalysis, 2017, 2334 |
4514040 | CIF | C24 H18 Cl6 N O5 V | P 1 21 1 | 7.20833; 12.3392; 14.6278 90; 93.647; 90 | 1298.44 | Miceli, Claudia; Rintjema, Jeroen; Martin, Eddy; Escudero-Adán, Eduardo C.; Zonta, Cristiano; Licini, Giulia; Kleij, Arjan W. Vanadium(V) Catalysts with High Activity for the Coupling of Epoxides and CO2: Characterization of a Putative Catalytic Intermediate ACS Catalysis, 2017, 7, 2367 |
4514041 | CIF | C24 H17 Cl7 N O5 V | P 1 21/c 1 | 7.1728; 13.0626; 28.541 90; 96.136; 90 | 2658.8 | Miceli, Claudia; Rintjema, Jeroen; Martin, Eddy; Escudero-Adán, Eduardo C.; Zonta, Cristiano; Licini, Giulia; Kleij, Arjan W. Vanadium(V) Catalysts with High Activity for the Coupling of Epoxides and CO2: Characterization of a Putative Catalytic Intermediate ACS Catalysis, 2017, 7, 2367 |
4514048 | CIF | C21 H26 N2 O5 | C 1 2 1 | 22.5768; 8.5784; 12.0175 90; 121.047; 90 | 1994.04 | Chen, Xiaohong; Yang, Shujing; Li, Helong; Wang, Bo; Song, Guoyong Enantioselective C‒H Annulation of Indoles with Diazo Compounds through a Chiral Rh(III) Catalyst ACS Catalysis, 2017, 2392 |
4514051 | CIF | C44 H30 F5 N2 P | P 1 21 1 | 12.37; 45.6483; 12.6634 90; 97.6938; 90 | 7086.3 | Paioti, Paulo H. S.; Abboud, Khalil A.; Aponick, Aaron Incorporation of Axial Chirality into Phosphino-Imidazoline Ligands for Enantioselective Catalysis ACS Catalysis, 2017, 7, 2133 |
4514052 | CIF | C78 H65 Br0.69 Cl0.31 F6 P5 Pd3 Sb | P 1 21/c 1 | 15.3662; 16.9466; 27.676 90; 92.693; 90 | 7199 | Fu, Fangyu; Xiang, Ji; Cheng, Hao; Cheng, Longjiu; Chong, Hanbao; Wang, Shuxin; Li, Peng; Wei, Shiqiang; Zhu, Manzhou; Li, Yadong A Robust and Efficient Pd3 Cluster Catalyst for the Suzuki Reaction and Its Odd Mechanism ACS Catalysis, 2017, 7, 1860 |
4514053 | CIF | C50 H64 B Ge N O3 Si | P -1 | 9.93; 14.88; 15.29 91; 91.6; 98.1 | 2235.3 | Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido‒Germanium(II) and −Tin(II) Hydride Complexes ACS Catalysis, 2017, 7, 1853 |
4514054 | CIF | C101 H134 Ge2 N2 O2 Si2 | C 1 2/c 1 | 31.052; 19.593; 17.8613 90; 105.933; 90 | 10449.4 | Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido‒Germanium(II) and −Tin(II) Hydride Complexes ACS Catalysis, 2017, 7, 1853 |
4514055 | CIF | C38 H36 N2 O5 S2 | P 21 21 21 | 10.9061; 12.6404; 28.3159 90; 90; 90 | 3903.6 | Feng, Jian-Jun; Zhang, Junliang Rhodium-Catalyzed Stereoselective Intramolecular Tandem Reaction of Vinyloxiranes with Alkynes: Atom- and Step-Economical Synthesis of Multifunctional Mono-, Bi-, and Tricyclic Compounds ACS Catalysis, 2017, 7, 1533 |
4514056 | CIF | C17 H21 N O3 S | P 21 21 21 | 8.1166; 13.77; 15.4267 90; 90; 90 | 1724.17 | Feng, Jian-Jun; Zhang, Junliang Rhodium-Catalyzed Stereoselective Intramolecular Tandem Reaction of Vinyloxiranes with Alkynes: Atom- and Step-Economical Synthesis of Multifunctional Mono-, Bi-, and Tricyclic Compounds ACS Catalysis, 2017, 7, 1533 |
4514057 | CIF | C25 H44 Mn N O3 P2 | P n a 21 | 30.3732; 11.6836; 7.6516 90; 90; 90 | 2715.3 | Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Paul, Jean-François; Dumeignil, Franck; Gauvin, Régis M. Manganese Pincer Complexes for the Base-Free, Acceptorless Dehydrogenative Coupling of Alcohols to Esters: Development, Scope, and Understanding ACS Catalysis, 2017, 7, 2022 |
4514058 | CIF | C18 H41 B Mn N O2 P2 | P b c a | 17.2037; 14.6522; 19.066 90; 90; 90 | 4806 | Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Paul, Jean-François; Dumeignil, Franck; Gauvin, Régis M. Manganese Pincer Complexes for the Base-Free, Acceptorless Dehydrogenative Coupling of Alcohols to Esters: Development, Scope, and Understanding ACS Catalysis, 2017, 7, 2022 |
4514059 | CIF | C18 H38 Mn N O2 P2 | P 1 21/c 1 | 10.6335; 14.5777; 13.8441 90; 97.449; 90 | 2127.9 | Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Paul, Jean-François; Dumeignil, Franck; Gauvin, Régis M. Manganese Pincer Complexes for the Base-Free, Acceptorless Dehydrogenative Coupling of Alcohols to Esters: Development, Scope, and Understanding ACS Catalysis, 2017, 7, 2022 |
4514060 | CIF | C40 H34 Br Fe Ni P2 | P -1 | 9.6075; 10.9191; 17.624 96.565; 105.405; 103.759 | 1699.9 | Kalvet, Indrek; Guo, Qianqian; Tizzard, Graham J.; Schoenebeck, Franziska When Weaker Can Be Tougher: The Role of Oxidation State (I) in P- vs N-Ligand-Derived Ni-Catalyzed Trifluoromethylthiolation of Aryl Halides. ACS catalysis, 2017, 7, 2126-2132 |
4514061 | CIF | C72 H64 Fe2 I2 Ni2 O P4 | C 1 2/c 1 | 23.6771; 13.9547; 19.1841 90; 90.394; 90 | 6338.4 | Kalvet, Indrek; Guo, Qianqian; Tizzard, Graham J.; Schoenebeck, Franziska When Weaker Can Be Tougher: The Role of Oxidation State (I) in P- vs N-Ligand-Derived Ni-Catalyzed Trifluoromethylthiolation of Aryl Halides. ACS catalysis, 2017, 7, 2126-2132 |
4514062 | CIF | C18 H17 N O2 | P -1 | 7.3719; 8.0356; 12.4786 82.255; 78.93; 86.099 | 718.16 | Wu, Xiaowei; Wang, Bao; Zhou, Shengbin; Zhou, Yu; Liu, Hong Ruthenium-Catalyzed Redox-Neutral [4 + 1] Annulation of Benzamides and Propargyl Alcohols via C‒H Bond Activation ACS Catalysis, 2017, 7, 2494 |
4514063 | CIF | C30 H64 Br2 P2 Pd2 | P 1 21/c 1 | 14.191; 14.4097; 18.8529 90; 90.638; 90 | 3855 | Hu, Huaiyuan; Qu, Fengrui; Gerlach, Deidra L.; Shaughnessy, Kevin H. Mechanistic Study of the Role of Substrate Steric Effects and Aniline Inhibition on the Bis(trineopentylphosphine)palladium(0)-Catalyzed Arylation of Aniline Derivatives ACS Catalysis, 2017, 7, 2516 |
4514064 | CIF | C48 H88 Br2 Cl4 P2 Pd2 | P -1 | 9.5914; 12.2401; 13.6152 114.515; 94.093; 92.143 | 1446.66 | Hu, Huaiyuan; Qu, Fengrui; Gerlach, Deidra L.; Shaughnessy, Kevin H. Mechanistic Study of the Role of Substrate Steric Effects and Aniline Inhibition on the Bis(trineopentylphosphine)palladium(0)-Catalyzed Arylation of Aniline Derivatives ACS Catalysis, 2017, 7, 2516 |
4514066 | CIF | C18 H19 N3 O2 | P 1 21/n 1 | 8.2446; 18.1585; 10.6143 90; 99.541; 90 | 1567.08 | Leitch, Jamie A.; McMullin, Claire L.; Mahon, Mary F.; Bhonoah, Yunas; Frost, Christopher G. Remote C6-Selective Ruthenium-Catalyzed C‒H Alkylation of Indole Derivatives via σ-Activation ACS Catalysis, 2017, 2616 |
4514067 | CIF | C24 H29 N3 O4 | P -1 | 7.2094; 12.0942; 13.0064 106.921; 90.76; 95.278 | 1079.4 | Leitch, Jamie A.; McMullin, Claire L.; Mahon, Mary F.; Bhonoah, Yunas; Frost, Christopher G. Remote C6-Selective Ruthenium-Catalyzed C‒H Alkylation of Indole Derivatives via σ-Activation ACS Catalysis, 2017, 2616 |
4514068 | CIF | C23 H18 N2 O3 S | P -1 | 8.1462; 9.4252; 13.2617 104.796; 102.654; 103.208 | 915.85 | Li, Jun-Ming; Wang, Yong-Heng; Yu, Yang; Wu, Rui-Bo; Weng, Jiang; Lu, Gui Copper-Catalyzed Remote C‒H Functionalizations of Naphthylamides through a Coordinating Activation Strategy and Single-Electron-Transfer (SET) Mechanism ACS Catalysis, 2017, 2661 |
4514069 | CIF | C49 H40 N2 O4 | P -1 | 11.406; 12.0431; 13.804 89.519; 88.399; 75.619 | 1836 | Uraguchi, Daisuke; Torii, Masahiro; Ooi, Takashi Acridinium Betaine as a Single-Electron-Transfer Catalyst: Design and Application to Dimerization of Oxindoles ACS Catalysis, 2017 |
4514070 | CIF | C38 H29 F3 N O | P b c n | 15.083; 14.7314; 26.284 90; 90; 90 | 5840.1 | Uraguchi, Daisuke; Torii, Masahiro; Ooi, Takashi Acridinium Betaine as a Single-Electron-Transfer Catalyst: Design and Application to Dimerization of Oxindoles ACS Catalysis, 2017 |
4514071 | CIF | C25 H19 Br N2 O2 | P 21 21 21 | 9.5611; 9.7674; 44.019 90; 90; 90 | 4110.8 | Wang, Shoulei; Izquierdo, Javier; Rodríguez-Escrich, Carles; Pericàs, Miquel A. Asymmetric [4 + 2] Annulation Reactions Catalyzed by a Robust, Immobilized Isothiourea ACS Catalysis, 2017, 7, 2780 |
4514072 | CIF | C24 H17 N O2 S | P 21 21 21 | 6.2831; 10.506; 28.682 90; 90; 90 | 1893.3 | Wang, Shoulei; Izquierdo, Javier; Rodríguez-Escrich, Carles; Pericàs, Miquel A. Asymmetric [4 + 2] Annulation Reactions Catalyzed by a Robust, Immobilized Isothiourea ACS Catalysis, 2017, 7, 2780 |
4514073 | CIF | C38 H27 N5 O2 | P b c n | 17.1283; 9.2992; 18.9173 90; 90; 90 | 3013.1 | Du, Cong; Li, Peng-Xiang; Zhu, Xinju; Han, Jiao-Na; Niu, Jun-Long; Song, Mao-Ping Cobalt-Catalyzed Oxidative C-H/N-H Cross-Coupling: Selective and Facile Access to Triarylamines ACS Catalysis, 2017 |
4514074 | CIF | C45 H33 Cl2 Co N6 O2 | P 1 21/c 1 | 12.2327; 13.1901; 24.1763 90; 103.838; 90 | 3787.6 | Du, Cong; Li, Peng-Xiang; Zhu, Xinju; Han, Jiao-Na; Niu, Jun-Long; Song, Mao-Ping Cobalt-Catalyzed Oxidative C-H/N-H Cross-Coupling: Selective and Facile Access to Triarylamines ACS Catalysis, 2017 |
4514080 | CIF | C38 H52 N2 O2 Pd | P 1 21/c 1 | 12.47076; 21.63215; 13.10657 90; 99.47; 90 | 3487.57 | Kim, Jaewoon; Hong, Soon Hyeok Ligand-Promoted Direct C‒H Arylation of Simple Arenes: Evidence for a Cooperative Bimetallic Mechanism ACS Catalysis, 2017, 7, 3336 |
4514083 | CIF | C28 H29 N O3 | P -1 | 6.3295; 12.336; 14.619 90.792; 95.813; 96.114 | 1128.8 | Esguerra, Kenneth Virgel N.; Lumb, Jean-Philip A Bioinspired Catalytic Aerobic Functionalization of Phenols: Regioselective Construction of Aromatic C‒N and C‒O Bonds ACS Catalysis, 2017, 7, 3477 |
4514084 | CIF | C33 H25 N O4 | P -1 | 9.7185; 15.9184; 15.9702 88.541; 87.598; 85.097 | 2458.84 | Esguerra, Kenneth Virgel N.; Lumb, Jean-Philip A Bioinspired Catalytic Aerobic Functionalization of Phenols: Regioselective Construction of Aromatic C‒N and C‒O Bonds ACS Catalysis, 2017, 7, 3477 |
4514085 | CIF | C34 H23 F2 N O5 | P 1 21 1 | 10.0098; 19.235; 13.3175 90; 91.572; 90 | 2563.2 | Esguerra, Kenneth Virgel N.; Lumb, Jean-Philip A Bioinspired Catalytic Aerobic Functionalization of Phenols: Regioselective Construction of Aromatic C‒N and C‒O Bonds ACS Catalysis, 2017, 7, 3477 |
4514089 | CIF | C38 H34 Co N4 | P b c a | 19.206; 15.8073; 19.2815 90; 90; 90 | 5853.8 | Maher, Andrew G.; Passard, Guillaume; Dogutan, Dilek K.; Halbach, Robert L.; Anderson, Bryce L.; Gagliardi, Christopher J.; Taniguchi, Masahiko; Lindsey, Jonathan S.; Nocera, Daniel G. Hydrogen Evolution Catalysis by a Sparsely Substituted Cobalt Chlorin ACS Catalysis, 2017, 3597 |
4514090 | CIF | C25 H19 N O2 | P 1 21/c 1 | 4.88608; 39.9585; 9.27521 90; 91.1105; 90 | 1810.56 | Herlé, Bart; Holstein, Philipp M.; Echavarren, Antonio M. Stereoselective cis-Vinylcyclopropanation via a Gold(I)-Catalyzed Retro-Buchner Reaction under Mild Conditions. ACS catalysis, 2017, 7, 3668-3675 |
4514091 | CIF | C25 H19 N O2 | P -1 | 9.8574; 10.5363; 19.098 83.974; 85.964; 69.875 | 1850.88 | Herlé, Bart; Holstein, Philipp M.; Echavarren, Antonio M. Stereoselective cis-Vinylcyclopropanation via a Gold(I)-Catalyzed Retro-Buchner Reaction under Mild Conditions. ACS catalysis, 2017, 7, 3668-3675 |
4514094 | CIF | C62 H65 B Co F24 N O2 P2 | P -1 | 13.0174; 14.9485; 17.504 102.352; 98.18; 99.337 | 3227.4 | Yuwen, Jing; Chakraborty, Sumit; Brennessel, William W.; Jones, William D. Additive-Free Cobalt-Catalyzed Hydrogenation of Esters to Alcohols ACS Catalysis, 2017, 3735 |
4514095 | CIF | C74 H75 B Co F24 N O4 P2 | P -1 | 14.722; 16.791; 17.269 99.053; 113.62; 101.693 | 3692.2 | Yuwen, Jing; Chakraborty, Sumit; Brennessel, William W.; Jones, William D. Additive-Free Cobalt-Catalyzed Hydrogenation of Esters to Alcohols ACS Catalysis, 2017, 3735 |
4514096 | CIF | C12 H10 O5 | P 21 21 21 | 5.9658; 6.8587; 26.877 90; 90; 90 | 1099.74 | Ji, Jie; Lin, Lili; Tang, Qiong; Kang, Tengfei; Liu, Xiaohua; Feng, Xiaoming Highly Efficient Asymmetric Synthesis of Chiral γ-Alkenyl Butenolides Catalyzed by Chiral N,N′-Dioxide‒Scandium(III) Complexes ACS Catalysis, 2017, 7, 3763 |
4514100 | CIF | C60 H54 F18 N12 O4 P3 Ru2 | P -1 | 13.578; 13.579; 13.733 91.45; 100.63; 115.95 | 2222 | Fan, Ting; Duan, Lele; Huang, Ping; Chen, Hong; Daniel, Quentin; Ahlquist, Mårten S. G.; Sun, Licheng The Ru-tpc Water Oxidation Catalyst and Beyond: Water Nucleophilic Attack Pathway versus Radical Coupling Pathway ACS Catalysis, 2017, 7, 2956 |
4514101 | CIF | C21 H39 Cl2 Co N P2 | P -1 | 8.2698; 10.9458; 14.8705 98.19; 90.641; 110.333 | 1246.6 | Daw, Prosenjit; Chakraborty, Subrata; Leitus, Gregory; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David Selective N-Formylation of Amines with H2 and CO2 Catalyzed by Cobalt Pincer Complexes ACS Catalysis, 2017, 7, 2500 |
4514102 | CIF | C21 H39 Cl Co N P2 | P 1 21/c 1 | 14.2619; 8.3444; 19.9331 90; 96.477; 90 | 2357 | Daw, Prosenjit; Chakraborty, Subrata; Leitus, Gregory; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David Selective N-Formylation of Amines with H2 and CO2 Catalyzed by Cobalt Pincer Complexes ACS Catalysis, 2017, 7, 2500 |
4514103 | CIF | C50 H40 Cl N3 O P2 Ru | P n m a | 18.5484; 15.0463; 16.1704 90; 90; 90 | 4512.9 | Sarbajna, Abir; Dutta, Indranil; Daw, Prosenjit; Dinda, Shrabani; Rahaman, S. M. Wahidur; Sarkar, Abheek; Bera, Jitendra K. Catalytic Conversion of Alcohols to Carboxylic Acid Salts and Hydrogen with Alkaline Water ACS Catalysis, 2017, 7, 2786 |
4514104 | CIF | C54 H47 Cl5 N4 O P2 Ru | P 1 21/c 1 | 14.2935; 18.4185; 22.7313 90; 108.44; 90 | 5677.1 | Sarbajna, Abir; Dutta, Indranil; Daw, Prosenjit; Dinda, Shrabani; Rahaman, S. M. Wahidur; Sarkar, Abheek; Bera, Jitendra K. Catalytic Conversion of Alcohols to Carboxylic Acid Salts and Hydrogen with Alkaline Water ACS Catalysis, 2017, 7, 2786 |
4514105 | CIF | C59 H49 Cl5 N4 O2 P2 Ru2 | P -1 | 11.8324; 14.2246; 18.611 86.239; 84.443; 71.637 | 2956.9 | Sarbajna, Abir; Dutta, Indranil; Daw, Prosenjit; Dinda, Shrabani; Rahaman, S. M. Wahidur; Sarkar, Abheek; Bera, Jitendra K. Catalytic Conversion of Alcohols to Carboxylic Acid Salts and Hydrogen with Alkaline Water ACS Catalysis, 2017, 7, 2786 |
4514106 | CIF | C29 H20 F3 N5 O6 Ru S | P -1 | 8.4166; 11.03; 16.025 84.085; 76.9; 69.246 | 1354.52 | Kagalwala, Husain N.; Tong, Lianpeng; Zong, Ruifa; Kohler, Lars; Ahlquist, Mårten S. G.; Fan, Ting; Gagnon, Kevin J.; Thummel, Randolph P. Evidence for Oxidative Decay of a Ru-Bound Ligand during Catalyzed Water Oxidation ACS Catalysis, 2017, 7, 2607 |
4514107 | CIF | C13 H15 N O4 | P 21 21 21 | 8.8677; 10.0871; 14.1044 90; 90; 90 | 1261.63 | Tukhvatshin, Rinat S.; Kucherenko, Alexander S.; Nelyubina, Yulia V.; Zlotin, Sergei G. Tertiary Amine-Derived Ionic Liquid-Supported Squaramide as a Recyclable Organocatalyst for Noncovalent “On Water” Catalysis ACS Catalysis, 2017, 7, 2981 |
4514108 | CIF | C13 H8 Br Mn N2 O5 | P b a m | 17.7576; 12.9229; 12.7518 90; 90; 90 | 2926.3 | Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R. Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide ACS Catalysis, 2017, 7, 3864 |
4514109 | CIF | C15 H12 Br Mn N2 O5 | P 1 21/n 1 | 8.1795; 16.3907; 11.9305 90; 90.478; 90 | 1599.44 | Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R. Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide ACS Catalysis, 2017, 7, 3864 |
4514110 | CIF | C13 H10 Br Mn N4 O3 | P 1 21/n 1 | 7.5829; 9.6475; 20.0238 90; 93.812; 90 | 1461.62 | Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R. Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide ACS Catalysis, 2017, 7, 3864 |
4514111 | CIF | C16 H11 F3 Mn N3 O8 S | P -1 | 8.9121; 12.7125; 17.6682 84.4838; 86.3815; 83.4002 | 1976.5 | Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R. Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide ACS Catalysis, 2017, 7, 3864 |
4514112 | CIF | C18 H15 F3 Mn N3 O8 S | P 1 21/c 1 | 8.19264; 11.4621; 23.0399 90; 92.2861; 90 | 2161.84 | Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R. Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide ACS Catalysis, 2017, 7, 3864 |
4514115 | CIF | C44 H61 N O10 S Si | P 1 21 1 | 9.04501; 9.77593; 25.19795 90; 92.5278; 90 | 2225.92 | Liao, Yuting; Zhou, Baixin; Xia, Yong; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming Asymmetric [3 + 2] Cycloaddition of 2,2′-Diester Aziridines To Synthesize Pyrrolidine Derivatives ACS Catalysis, 2017, 7, 3934 |
4514116 | CIF | C24 H24 Cl N O5 | P 1 21 1 | 9.975; 8.9417; 12.2426 90; 101.043; 90 | 1071.74 | Mondal, Santigopal; Mukherjee, Subrata; Das, Tamal Kanti; Gonnade, Rajesh; Biju, Akkattu T. N-Heterocyclic Carbene-Catalyzed Aldol-Lactonization of Ketoacids via Dynamic Kinetic Resolution ACS Catalysis, 2017, 3995 |
4514117 | CIF | C22 H24 N2 O2 S | P 1 21 1 | 13.226; 6.2835; 13.615 90; 92.018; 90 | 1130.8 | Lin, Tao-Yan; Wu, Hai-Hong; Feng, Jian-Jun; Zhang, Junliang Design and Enantioselective Synthesis of β-Vinyl Tryptamine Building Blocks for Construction of Privileged Chiral Indole Scaffolds ACS Catalysis, 2017, 4047 |
4514118 | CIF | C20 H24 Cl N O2 S | P 1 21/c 1 | 9.5931; 12.8055; 15.6673 90; 102.15; 90 | 1881.53 | Zhang, Hongwei; Muñiz, Kilian Selective Piperidine Synthesis Exploiting Iodine-Catalyzed Csp3‒H Amination under Visible Light ACS Catalysis, 2017, 7, 4122 |
4514119 | CIF | C19 H22 N2 O4 S | P b c n | 16.4786; 7.779; 28.3488 90; 90; 90 | 3633.9 | Zhang, Hongwei; Muñiz, Kilian Selective Piperidine Synthesis Exploiting Iodine-Catalyzed Csp3‒H Amination under Visible Light ACS Catalysis, 2017, 7, 4122 |
4514120 | CIF | C25 H18 | P 1 21/c 1 | 13.316; 20.47; 6.2779 90; 101.369; 90 | 1677.6 | Yu, Liu-Zhu; Wei, Yin; Shi, Min Synthesis of Polysubstituted Polycyclic Aromatic Hydrocarbons by Gold-Catalyzed Cyclization‒Oxidation of Alkylidenecyclopropane-Containing 1,5-Enynes ACS Catalysis, 2017, 7, 4242 |
4514121 | CIF | C24 H17 Cl O | P -1 | 9.3854; 9.6615; 11.064 87.814; 68.304; 85.999 | 929.8 | Yu, Liu-Zhu; Wei, Yin; Shi, Min Synthesis of Polysubstituted Polycyclic Aromatic Hydrocarbons by Gold-Catalyzed Cyclization‒Oxidation of Alkylidenecyclopropane-Containing 1,5-Enynes ACS Catalysis, 2017, 7, 4242 |
4514122 | CIF | C22 H16 S | P -1 | 4.9712; 11.992; 27.578 79.676; 84.855; 78.156 | 1580.6 | Yu, Liu-Zhu; Wei, Yin; Shi, Min Synthesis of Polysubstituted Polycyclic Aromatic Hydrocarbons by Gold-Catalyzed Cyclization‒Oxidation of Alkylidenecyclopropane-Containing 1,5-Enynes ACS Catalysis, 2017, 7, 4242 |
4514123 | CIF | C25 H26 F2 N2 Pt S | P -1 | 9.0052; 10.3193; 13.9951 90.135; 92.418; 94.402 | 1295.52 | Suslick, Benjamin A.; Liberman-Martin, Allegra L.; Wambach, Truman C.; Tilley, T. Don Olefin Hydroarylation Catalyzed by (pyridyl-indolate)Pt(II) Complexes: Catalytic Efficiencies and Mechanistic Aspects ACS Catalysis, 2017, 4313 |
4514124 | CIF | C25 H24 F4 N2 Pt S | P -1 | 8.9213; 10.1362; 14.7554 97.236; 90.819; 94.146 | 1319.84 | Suslick, Benjamin A.; Liberman-Martin, Allegra L.; Wambach, Truman C.; Tilley, T. Don Olefin Hydroarylation Catalyzed by (pyridyl-indolate)Pt(II) Complexes: Catalytic Efficiencies and Mechanistic Aspects ACS Catalysis, 2017, 4313 |
4514136 | CIF | C19 H27 Cl N3 O P Ru | P b c a | 8.539; 15.0653; 32.9272 90; 90; 90 | 4235.84 | Li, Huaifeng; Wang, Yuan; Lai, Zhiping; Huang, Kuo-Wei Selective Catalytic Hydrogenation of Arenols by a Well-Defined Complex of Ruthenium and Phosphorus‒Nitrogen PN3‒Pincer Ligand Containing a Phenanthroline Backbone ACS Catalysis, 2017, 7, 4446 |
4514137 | CIF | C22 H31 Cl N3 O2 P Ru | P 1 21/c 1 | 8.4904; 16.3262; 17.4261 90; 97.79; 90 | 2393.24 | Li, Huaifeng; Wang, Yuan; Lai, Zhiping; Huang, Kuo-Wei Selective Catalytic Hydrogenation of Arenols by a Well-Defined Complex of Ruthenium and Phosphorus‒Nitrogen PN3‒Pincer Ligand Containing a Phenanthroline Backbone ACS Catalysis, 2017, 7, 4446 |
4514138 | CIF | C46 H40 Br2 N2 O2 | P -1 | 11.3349; 12.8075; 13.5019 76.483; 84.58; 83.915 | 1890.13 | Liu, Yi; Tse, Ying-Lung Steve; Kwong, Fuk Yee; Yeung, Ying-Yeung Accessing Axially Chiral Biaryls via Organocatalytic Enantioselective Dynamic-Kinetic Resolution-Semipinacol Rearrangement ACS Catalysis, 2017, 4435 |
4514139 | CIF | C28 H28 N2 O6 S | P 1 21 1 | 14.93; 11.5659; 15.258 90; 101.808; 90 | 2579 | Claraz, Aurélie; Serpier, Fabien; Darses, Sylvain Organoboron Initiated Rh-Catalyzed Asymmetric Cascade Reactions: A Subtle Switch in Regioselectivity Leading to Chiral 3-Benzazepine Derivatives ACS Catalysis, 2017, 7, 3410 |
4514140 | CIF | C42 H30 F6 N2 O4 | P 21 21 21 | 8.8643; 17.5771; 22.5359 90; 90; 90 | 3511.3 | Yang, Wenjun; Sun, Wei; Zhang, Cheng; Wang, Qijun; Guo, Zhenyan; Mao, Biming; Liao, Jianning; Guo, Hongchao Lewis-Base-Catalyzed Asymmetric [3 + 3] Annulation Reaction of Morita‒Baylis‒Hillman Carbonates: Enantioselective Synthesis of Spirocyclohexenes ACS Catalysis, 2017, 7, 3142 |
4514141 | CIF | C18 H18 | P 1 21 1 | 9.035; 5.7594; 13.277 90; 100.891; 90 | 678.4 | Herlé, Bart; Holstein, Philipp M.; Echavarren, Antonio M. Stereoselective cis-Vinylcyclopropanation via a Gold(I)-Catalyzed Retro-Buchner Reaction under Mild Conditions. ACS catalysis, 2017, 7, 3668-3675 |
4514142 | CIF | C21 H27 N O2 S | P 1 21/n 1 | 11.6983; 13.0767; 13.6557 90; 114.637; 90 | 1898.82 | Zhang, Hongwei; Muñiz, Kilian Selective Piperidine Synthesis Exploiting Iodine-Catalyzed Csp3‒H Amination under Visible Light ACS Catalysis, 2017, 7, 4122 |
4514143 | CIF | C19 H21 N O2 S | P 1 21/c 1 | 10.2375; 9.4009; 16.6135 90; 98.412; 90 | 1581.71 | Zhang, Hongwei; Muñiz, Kilian Selective Piperidine Synthesis Exploiting Iodine-Catalyzed Csp3‒H Amination under Visible Light ACS Catalysis, 2017, 7, 4122 |
4514151 | CIF | C13 H22 F3 Ir N2 O2 S | I 41 c d | 16.7238; 16.7238; 23.136 90; 90; 90 | 6470.8 | Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito A Bifunctional Iridium Catalyst Modified for Persistent Hydrogen Generation from Formic Acid: Understanding Deactivation via Cyclometalation of a 1,2-Diphenylethylenediamine Motif ACS Catalysis, 2017, 4479 |
4514152 | CIF | C25 H28 F3 Ir N2 O2 S | C 1 2 1 | 20.7776; 14.3517; 18.813 90; 111.073; 90 | 5234.75 | Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito A Bifunctional Iridium Catalyst Modified for Persistent Hydrogen Generation from Formic Acid: Understanding Deactivation via Cyclometalation of a 1,2-Diphenylethylenediamine Motif ACS Catalysis, 2017, 4479 |
4514153 | CIF | C14 H23 Cl3 F3 Ir N2 O2 S | P 1 21/c 1 | 11.168; 11.884; 16.488 90; 104.162; 90 | 2121.8 | Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito A Bifunctional Iridium Catalyst Modified for Persistent Hydrogen Generation from Formic Acid: Understanding Deactivation via Cyclometalation of a 1,2-Diphenylethylenediamine Motif ACS Catalysis, 2017, 4479 |
4514154 | CIF | C16 H11 F5 N3 O7 V | P -1 | 7.8153; 11.0933; 11.0932 78.955; 85.104; 77.783 | 921.55 | Gazi, Sarifuddin; Đokić, Miloš; Moeljadi, Adhitya Mangala Putra; Ganguly, Rakesh; Hirao, Hajime; Soo, Han Sen Kinetics and DFT Studies of Photoredox Carbon‒Carbon Bond Cleavage Reactions by Molecular Vanadium Catalysts under Ambient Conditions ACS Catalysis, 2017, 7, 4682 |
4514155 | CIF | C25 H22 Br2 F N O | P 1 21 1 | 13.4096; 5.2499; 16.501 90; 106.995; 90 | 1110.93 | Arimitsu, Satoru; Yonamine, Tsunaki; Higashi, Masahiro Cinchona-Based Primary Amine Catalyzed a Proximal Functionalization of Dienamines: Asymmetric α-Fluorination of α-Branched Enals ACS Catalysis, 2017, 4736 |
4514158 | CIF | C14 H13 Cl3 O4 | P 1 21 1 | 7.1346; 14.8376; 15.0064 90; 98.492; 90 | 1571.17 | Cruchter, Thomas; Medvedev, Michael G.; Shen, Xiaodong; Mietke, Thomas; Harms, Klaus; Marsch, Michael; Meggers, Eric Asymmetric Nucleophilic Catalysis with an Octahedral Chiral-at-Metal Iridium(III) Complex ACS Catalysis, 2017, 7, 5151 |
4514159 | CIF | C22 H38 Si2 | P 1 21/n 1 | 8.809; 15.299; 16.461 90; 93.573; 90 | 2214.1 | Chen, Jiazhen; Gao, Yanshan; Xiong, Shuoyan; Delferro, Massimiliano; Lohr, Tracy L.; Marks, Tobin J. Metal and Counteranion Nuclearity Effects in Organoscandium-Catalyzed Isoprene Polymerization and Copolymerization ACS Catalysis, 2017, 7, 5214 |
4514160 | CIF | C48 H100 O2 Sc2 Si6 | P 1 21/c 1 | 14.3075; 24.95; 17.0373 90; 98.009; 90 | 6022.5 | Chen, Jiazhen; Gao, Yanshan; Xiong, Shuoyan; Delferro, Massimiliano; Lohr, Tracy L.; Marks, Tobin J. Metal and Counteranion Nuclearity Effects in Organoscandium-Catalyzed Isoprene Polymerization and Copolymerization ACS Catalysis, 2017, 7, 5214 |
4514161 | CIF | C20 H20 N2 O3 | R 3 | 21.2602; 21.2602; 10.1814 90; 90; 120 | 3985.41 | Reay, Alan J.; Hammarback, L. Anders; Bray, Joshua T. W.; Sheridan, Thomas; Turnbull, David; Whitwood, Adrian C.; Fairlamb, Ian J. S. Mild and Regioselective Pd(OAc)2-Catalyzed C‒H Arylation of Tryptophans by [ArN2]X, Promoted by Tosic Acid ACS Catalysis, 2017, 5174 |
4514162 | CIF | C23 H26 N2 O3 | P 1 21 1 | 8.7152; 13.5902; 8.7625 90; 100.507; 90 | 1020.44 | Reay, Alan J.; Hammarback, L. Anders; Bray, Joshua T. W.; Sheridan, Thomas; Turnbull, David; Whitwood, Adrian C.; Fairlamb, Ian J. S. Mild and Regioselective Pd(OAc)2-Catalyzed C‒H Arylation of Tryptophans by [ArN2]X, Promoted by Tosic Acid ACS Catalysis, 2017, 5174 |
4514163 | CIF | C20 H19 Cl N2 O3 | R 3 | 20.7806; 20.7806; 11.18107 90; 90; 120 | 4181.48 | Reay, Alan J.; Hammarback, L. Anders; Bray, Joshua T. W.; Sheridan, Thomas; Turnbull, David; Whitwood, Adrian C.; Fairlamb, Ian J. S. Mild and Regioselective Pd(OAc)2-Catalyzed C‒H Arylation of Tryptophans by [ArN2]X, Promoted by Tosic Acid ACS Catalysis, 2017, 5174 |
4514164 | CIF | C55 H44 Cl2 N2 O4 | C 1 2 1 | 22.1203; 7.6123; 16.3803 90; 127.077; 90 | 2200.58 | He, Congfa; Hou, Mengqing; Zhu, Zixi; Gu, Zhenhua Enantioselective Synthesis of Indole-Based Biaryl Atropisomers via Palladium-Catalyzed Dynamic Kinetic Intramolecular C‒H Cyclization ACS Catalysis, 2017, 7, 5316 |
4514165 | CIF | C29 H31 B O2 | P 21 21 21 | 6.2288; 12.593; 30.216 90; 90; 90 | 2370.1 | Mateos, Jaime; Rivera-Chao, Eva; Fañanás-Mastral, Martín Synergistic Copper/Palladium Catalysis for the Regio- and Stereoselective Synthesis of Borylated Skipped Dienes ACS Catalysis, 2017, 5340 |
4514166 | CIF | C9 H14 O4 | P -4 21 c | 12.8527; 12.8527; 10.7921 90; 90; 90 | 1782.77 | Laserna, Victor; Martin, Eddy; Escudero-Adán, Eduardo C.; Kleij, Arjan W. Substrate-Triggered Stereoselective Preparation of Highly Substituted Organic Carbonates ACS Catalysis, 2017, 7, 5478 |
4514167 | CIF | C7 H10 O4 | P 1 21/n 1 | 6.5169; 11.8049; 9.5214 90; 105.261; 90 | 706.66 | Laserna, Victor; Martin, Eddy; Escudero-Adán, Eduardo C.; Kleij, Arjan W. Substrate-Triggered Stereoselective Preparation of Highly Substituted Organic Carbonates ACS Catalysis, 2017, 7, 5478 |
4514168 | CIF | C7 H10 O4 | P 1 21/n 1 | 8.3814; 7.0296; 12.3499 90; 96.2862; 90 | 723.26 | Laserna, Victor; Martin, Eddy; Escudero-Adán, Eduardo C.; Kleij, Arjan W. Substrate-Triggered Stereoselective Preparation of Highly Substituted Organic Carbonates ACS Catalysis, 2017, 7, 5478 |
4514169 | CIF | C42 H29 Cl F6 N2 O3 | P 21 21 21 | 8.9232; 17.371; 23.537 90; 90; 90 | 3648.4 | Yang, Wenjun; Sun, Wei; Zhang, Cheng; Wang, Qijun; Guo, Zhenyan; Mao, Biming; Liao, Jianning; Guo, Hongchao Lewis-Base-Catalyzed Asymmetric [3 + 3] Annulation Reaction of Morita‒Baylis‒Hillman Carbonates: Enantioselective Synthesis of Spirocyclohexenes ACS Catalysis, 2017, 7, 3142 |
4514170 | CIF | C34 H30 Cl Co N4 O4 | P b c a | 17.0978; 15.1411; 22.9374 90; 90; 90 | 5938 | Somekh, Miriam; Cohen, Hagai; Diskin-Posner, Yael; Shimon, Linda J. W.; Carmieli, Raanan; Rosenberg, Jeffrey N.; Neumann, Ronny Formation of Alkanes by Aerobic Carbon‒Carbon Bond Coupling Reactions Catalyzed by a Phosphovanadomolybdic Acid ACS Catalysis, 2017, 2725 |
4514172 | CIF | C22 H24 O4 | P 21 21 21 | 8.4622; 9.685; 22.9564 90; 90; 90 | 1881.4 | Chong, Qinglei; Yue, Zhenting; Zhang, Shuoqing; Ji, Chonglei; Cheng, Fengchang; Zhang, Haiyan; Hong, Xin; Meng, Fanke N-heterocyclic Carbene‒Cu-Catalyzed Enantioselective Conjugate Additions with Alkenylboronic Esters as Nucleophiles ACS Catalysis, 2017, 5693 |
4514173 | CIF | C55.5 H71 O10.5 Rh2 | P 1 21/n 1 | 16.2948; 17.0253; 20.361 90; 103.07; 90 | 5502.3 | Chen, Po-An; Setthakarn, Krit; May, Jeremy A. A Binaphthyl-Based Scaffold for a Chiral Dirhodium(II) Biscarboxylate Ligand with α-Quaternary Carbon Centers ACS Catalysis, 2017, 7, 6155 |
4514183 | CIF | C46 H96 O2 Sc2 Si6 | P 1 21/n 1 | 18.2889; 18.1841; 18.6875 90; 111.842; 90 | 5768.7 | Chen, Jiazhen; Gao, Yanshan; Xiong, Shuoyan; Delferro, Massimiliano; Lohr, Tracy L.; Marks, Tobin J. Metal and Counteranion Nuclearity Effects in Organoscandium-Catalyzed Isoprene Polymerization and Copolymerization ACS Catalysis, 2017, 7, 5214 |
4514184 | CIF | C19 H12 Au Cl0.25 F6 N O4 | P 1 2/n 1 | 29.449; 4.6494; 29.503 90; 103.649; 90 | 3925.5 | Holmsen, Marte Sofie Martinsen; Nova, Ainara; Balcells, David; Langseth, Eirin; Øien-Ødegaard, Sigurd; Heyn, Richard H.; Tilset, Mats; Laurenczy, Gábor trans-Mutation at Gold(III): A Mechanistic Study of a Catalytic Acetylene Functionalization via a Double Insertion Pathway ACS Catalysis, 2017, 7, 5023 |
4514185 | CIF | C25 H21 O P | P -1 | 9.8901; 10.4204; 12.056 68.572; 85.149; 69.897 | 1084.9 | Toda, Yasunori; Sakamoto, Tomoyuki; Komiyama, Yutaka; Kikuchi, Ayaka; Suga, Hiroyuki A Phosphonium Ylide as an Ionic Nucleophilic Catalyst for Primary Hydroxyl Group Selective Acylation of Diols ACS Catalysis, 2017, 7, 6150 |
4514187 | CIF | C22 H23 N O | P b c a | 15.4176; 11.3505; 20.247 90; 90; 90 | 3543.2 | Li, Yang; Hu, Ming; Li, Jin-Heng Silver-Catalyzed Intermolecular [3 + 2]/[5 + 2] Annulation of N-Arylpropiolamides with Vinyl Acids: Facile Synthesis of Fused 2H-Benzo[b]azepin-2-ones ACS Catalysis, 2017, 7, 6757 |
4514188 | CIF | C18 H20 N2 O2 | P -1 | 6.3768; 10.567; 11.5596 108.484; 92.159; 106.084 | 703.06 | Mampuys, Pieter; Neumann, Helfried; Sergeyev, Sergey; Orru, Romano V. A.; Jiao, Haijun; Spannenberg, Anke; Maes, Bert U. W.; Beller, Matthias Combining Isocyanides with Carbon Dioxide in Palladium-Catalyzed Heterocycle Synthesis: N3-Substituted Quinazoline-2,4(1H,3H)-diones via a Three-Component Reaction ACS Catalysis, 2017, 7, 5549 |
4514189 | CIF | C16 H22 N2 O2 | P -1 | 10.3381; 12.1298; 12.7543 98.7084; 97.6979; 101.969 | 1523.79 | Mampuys, Pieter; Neumann, Helfried; Sergeyev, Sergey; Orru, Romano V. A.; Jiao, Haijun; Spannenberg, Anke; Maes, Bert U. W.; Beller, Matthias Combining Isocyanides with Carbon Dioxide in Palladium-Catalyzed Heterocycle Synthesis: N3-Substituted Quinazoline-2,4(1H,3H)-diones via a Three-Component Reaction ACS Catalysis, 2017, 7, 5549 |
4514190 | CIF | C27 H52 Cl N O P4 W | P 1 21/n 1 | 13.5317; 16.7932; 14.6934 90; 95.148; 90 | 3325.5 | Rudshteyn, Benjamin; Vibbert, Hunter B.; May, Richard; Wasserman, Eric; Warnke, Ingolf; Hopkins, Michael D.; Batista, Victor S. Thermodynamic and Structural Factors That Influence the Redox Potentials of Tungsten‒Alkylidyne Complexes ACS Catalysis, 2017, 7, 6134 |
4514193 | CIF | C37.21 H40.41 Cl2.41 Cu I N6 | P 21 21 21 | 16.9652; 19.7318; 24.8974 90; 90; 90 | 8334.5 | Wan, Kai Y.; Sung, Molly M. H.; Lough, Alan J.; Morris, Robert H. Half-Sandwich Ruthenium Catalyst Bearing an Enantiopure Primary Amine Tethered to an N-Heterocyclic Carbene for Ketone Hydrogenation ACS Catalysis, 2017, 7, 6827 |
4514194 | CIF | C43 H43 Cl Ni P2 | P 1 21/n 1 | 12.3832; 17.1052; 17.3844 90; 106.111; 90 | 3537.7 | Mifleur, Alexis; Mérel, Delphine S.; Mortreux, André; Suisse, Isabelle; Capet, Frédéric; Trivelli, Xavier; Sauthier, Mathieu; Macgregor, Stuart A. Deciphering the Mechanism of the Nickel-Catalyzed Hydroalkoxylation Reaction: A Combined Experimental and Computational Study ACS Catalysis, 2017, 7, 6915 |
4514195 | CIF | C32 H35 Cl Ni P2 | P -1 | 10.3622; 11.0841; 13.1883 100.947; 102.623; 105.014 | 1377.98 | Mifleur, Alexis; Mérel, Delphine S.; Mortreux, André; Suisse, Isabelle; Capet, Frédéric; Trivelli, Xavier; Sauthier, Mathieu; Macgregor, Stuart A. Deciphering the Mechanism of the Nickel-Catalyzed Hydroalkoxylation Reaction: A Combined Experimental and Computational Study ACS Catalysis, 2017, 7, 6915 |
4514196 | CIF | C39 H52 Hf N2 | P -1 | 9.1605; 12.4145; 15.8667 91.003; 105.64; 97.611 | 1719.61 | Domski, Gregory J.; Eagan, James M.; De Rosa, Claudio; Di Girolamo, Rocco; LaPointe, Anne M.; Lobkovsky, Emil B.; Talarico, Giovanni; Coates, Geoffrey W. Combined Experimental and Theoretical Approach for Living and Isoselective Propylene Polymerization ACS Catalysis, 2017, 7, 6930 |
4514197 | CIF | C28 H36 Hf N2 | P 1 21/n 1 | 10.3324; 14.8323; 16.0844 90; 97.923; 90 | 2441.5 | Domski, Gregory J.; Eagan, James M.; De Rosa, Claudio; Di Girolamo, Rocco; LaPointe, Anne M.; Lobkovsky, Emil B.; Talarico, Giovanni; Coates, Geoffrey W. Combined Experimental and Theoretical Approach for Living and Isoselective Propylene Polymerization ACS Catalysis, 2017, 7, 6930 |
4514198 | CIF | C33 H40 Hf N2 | P -1 | 11.0762; 11.953; 12.8362 79.555; 66.82; 67.872 | 1446.09 | Domski, Gregory J.; Eagan, James M.; De Rosa, Claudio; Di Girolamo, Rocco; LaPointe, Anne M.; Lobkovsky, Emil B.; Talarico, Giovanni; Coates, Geoffrey W. Combined Experimental and Theoretical Approach for Living and Isoselective Propylene Polymerization ACS Catalysis, 2017, 7, 6930 |
4514199 | CIF | C32 H38 Hf N2 | P -1 | 9.6947; 12.8143; 22.3108 91.516; 95.983; 93.882 | 2748.7 | Domski, Gregory J.; Eagan, James M.; De Rosa, Claudio; Di Girolamo, Rocco; LaPointe, Anne M.; Lobkovsky, Emil B.; Talarico, Giovanni; Coates, Geoffrey W. Combined Experimental and Theoretical Approach for Living and Isoselective Propylene Polymerization ACS Catalysis, 2017, 7, 6930 |
4514200 | CIF | C32 H36 Hf N2 | P -1 | 9.3898; 10.7845; 13.8529 87.005; 78.576; 86.78 | 1371.63 | Domski, Gregory J.; Eagan, James M.; De Rosa, Claudio; Di Girolamo, Rocco; LaPointe, Anne M.; Lobkovsky, Emil B.; Talarico, Giovanni; Coates, Geoffrey W. Combined Experimental and Theoretical Approach for Living and Isoselective Propylene Polymerization ACS Catalysis, 2017, 7, 6930 |
4514201 | CIF | C30 H30 Br N3 O4 | P 21 21 21 | 8.2547; 11.7633; 28.9888 90; 90; 90 | 2814.89 | Jiang, Fei; Zhao, Dan; Yang, Xue; Yuan, Fu-Ru; Mei, Guang-Jian; Shi, Feng Catalyst-Controlled Chemoselective and Enantioselective Reactions of Tryptophols with Isatin-Derived Imines ACS Catalysis, 2017, 7, 6984 |
4514202 | CIF | C30 H30 Cl N3 O4 | P -1 | 9.6201; 10.3131; 14.6525 78.547; 72.894; 89.686 | 1359.6 | Jiang, Fei; Zhao, Dan; Yang, Xue; Yuan, Fu-Ru; Mei, Guang-Jian; Shi, Feng Catalyst-Controlled Chemoselective and Enantioselective Reactions of Tryptophols with Isatin-Derived Imines ACS Catalysis, 2017, 7, 6984 |
4514205 | CIF | C31 H32 Fe O3 | P 21 21 21 | 9.6682; 10.6608; 48.1982 90; 90; 90 | 4967.8 | Larionov, Evgeny; Mastandrea, Marco M.; Pericàs, Miquel A. Asymmetric Visible-Light Photoredox Cross-Dehydrogenative Coupling of Aldehydes with Xanthenes ACS Catalysis, 2017, 7, 7008 |
4514206 | CIF | C20.25 H24.25 Cl0.5 O2 | C 1 2/c 1 | 38.935; 8.5678; 28.446 90; 133.9; 90 | 6837 | Larionov, Evgeny; Mastandrea, Marco M.; Pericàs, Miquel A. Asymmetric Visible-Light Photoredox Cross-Dehydrogenative Coupling of Aldehydes with Xanthenes ACS Catalysis, 2017, 7, 7008 |
4514207 | CIF | C21 H26 F6 Ir N3 O8 S2 | P b c a | 15.8414; 14.5592; 24.0253 90; 90; 90 | 5541.15 | Fujita, Ken-ichi; Tamura, Ryuichi; Tanaka, Yuhi; Yoshida, Masato; Onoda, Mitsuki; Yamaguchi, Ryohei Dehydrogenative Oxidation of Alcohols in Aqueous Media Catalyzed by a Water-Soluble Dicationic Iridium Complex Bearing a Functional N-Heterocyclic Carbene Ligand without Using Base ACS Catalysis, 2017, 7, 7226 |
4514208 | CIF | C20 H25 F3 Ir N3 O5 S | P -1 | 9.5878; 10.2028; 11.8401 83.082; 88.989; 83.868 | 1143.2 | Fujita, Ken-ichi; Tamura, Ryuichi; Tanaka, Yuhi; Yoshida, Masato; Onoda, Mitsuki; Yamaguchi, Ryohei Dehydrogenative Oxidation of Alcohols in Aqueous Media Catalyzed by a Water-Soluble Dicationic Iridium Complex Bearing a Functional N-Heterocyclic Carbene Ligand without Using Base ACS Catalysis, 2017, 7, 7226 |
4514209 | CIF | C35 H32 Cl2 N6 | P -1 | 11.9189; 11.9269; 13.6776 89.671; 67.67; 63.388 | 1575.9 | Zhou, Xukai; Luo, Yixin; Kong, Lingheng; Xu, Youwei; Zheng, Guangfan; Lan, Yu; Li, Xingwei Cp*CoIII-Catalyzed Branch-Selective Hydroarylation of Alkynes via C‒H Activation: Efficient Access to α-gem-Vinylindoles ACS Catalysis, 2017, 7, 7296 |
4514216 | CIF | C42 H43 O P Si | P 21 21 21 | 10.3642; 10.71104; 30.9626 90; 90; 90 | 3437.2 | Grosheva, Daria; Cramer, Nicolai Ketene Aminal Phosphates: Competent Substrates for Enantioselective Pd(0)-Catalyzed C‒H Functionalizations ACS Catalysis, 2017, 7, 7417 |
4514217 | CIF | C18 H13 Cl2 N O | P 21 21 21 | 4.7873; 12.3631; 25.26 90; 90; 90 | 1495.04 | Grosheva, Daria; Cramer, Nicolai Ketene Aminal Phosphates: Competent Substrates for Enantioselective Pd(0)-Catalyzed C‒H Functionalizations ACS Catalysis, 2017, 7, 7417 |
4514218 | CIF | C20 H6 F8 S2 | P b c a | 7.1369; 13.1737; 35.7724 90; 90; 90 | 3363.3 | Wang, Junya; Meng, Ge; Xie, Kun; Li, Liting; Sun, Huaming; Huang, Zhiyan Mild and Efficient Ni-Catalyzed Biaryl Synthesis with Polyfluoroaryl Magnesium Species: Verification of the Arrest State, Uncovering the Hidden Competitive Second Transmetalation and Ligand-Accelerated Highly Selective Monoarylation ACS Catalysis, 2017, 7, 7421 |
4514219 | CIF | C18 H25 Cl F4 Mg O3 | P 1 21 1 | 8.8663; 12.7576; 9.7375 90; 112.848; 90 | 1015.01 | Wang, Junya; Meng, Ge; Xie, Kun; Li, Liting; Sun, Huaming; Huang, Zhiyan Mild and Efficient Ni-Catalyzed Biaryl Synthesis with Polyfluoroaryl Magnesium Species: Verification of the Arrest State, Uncovering the Hidden Competitive Second Transmetalation and Ligand-Accelerated Highly Selective Monoarylation ACS Catalysis, 2017, 7, 7421 |
4514220 | CIF | C48 H30 F8 Ni O P2 | P b c n | 39.6323; 11.1626; 19.9766 90; 90; 90 | 8837.6 | Wang, Junya; Meng, Ge; Xie, Kun; Li, Liting; Sun, Huaming; Huang, Zhiyan Mild and Efficient Ni-Catalyzed Biaryl Synthesis with Polyfluoroaryl Magnesium Species: Verification of the Arrest State, Uncovering the Hidden Competitive Second Transmetalation and Ligand-Accelerated Highly Selective Monoarylation ACS Catalysis, 2017, 7, 7421 |
4514221 | CIF | C17 H10 F4 O2 S2 | P 1 21/c 1 | 7.7206; 10.8574; 19.0756 90; 90.148; 90 | 1599.02 | Wang, Junya; Meng, Ge; Xie, Kun; Li, Liting; Sun, Huaming; Huang, Zhiyan Mild and Efficient Ni-Catalyzed Biaryl Synthesis with Polyfluoroaryl Magnesium Species: Verification of the Arrest State, Uncovering the Hidden Competitive Second Transmetalation and Ligand-Accelerated Highly Selective Monoarylation ACS Catalysis, 2017, 7, 7421 |
4514222 | CIF | C36 H32 N8 O4 | P 21 21 21 | 5.7087; 16.28; 17.073 90; 90; 90 | 1586.7 | Liao, Yun; Lu, Qianqian; Chen, Gui; Yu, Yinghua; Li, Chunsen; Huang, Xueliang Rhodium-Catalyzed Azide‒Alkyne Cycloaddition of Internal Ynamides: Regioselective Assembly of 5-Amino-Triazoles under Mild Conditions ACS Catalysis, 2017, 7, 7529 |
4514223 | CIF | C17 H18 N4 O2 S | P 1 21/c 1 | 11.611; 19.247; 8.0285 90; 107.27; 90 | 1713.3 | Liao, Yun; Lu, Qianqian; Chen, Gui; Yu, Yinghua; Li, Chunsen; Huang, Xueliang Rhodium-Catalyzed Azide‒Alkyne Cycloaddition of Internal Ynamides: Regioselective Assembly of 5-Amino-Triazoles under Mild Conditions ACS Catalysis, 2017, 7, 7529 |
4514224 | CIF | C10 H16 O2 | P 1 21/n 1 | 5.9454; 23.5638; 6.5353 90; 104.593; 90 | 886.03 | Zhu, Rui; Jiang, Ju-Long; Li, Xing-Long; Deng, Jin; Fu, Yao A Comprehensive Study on Metal Triflate-Promoted Hydrogenolysis of Lactones to Carboxylic Acids: From Synthetic and Mechanistic Perspectives ACS Catalysis, 2017, 7, 7520 |
4514225 | CIF | C10 H16 O2 | P 1 21/n 1 | 6.0866; 21.259; 7.3676 90; 106.814; 90 | 912.6 | Zhu, Rui; Jiang, Ju-Long; Li, Xing-Long; Deng, Jin; Fu, Yao A Comprehensive Study on Metal Triflate-Promoted Hydrogenolysis of Lactones to Carboxylic Acids: From Synthetic and Mechanistic Perspectives ACS Catalysis, 2017, 7, 7520 |
4514226 | CIF | C49 H59 Cl3 Fe2 N2 Pd | C 1 2/c 1 | 27.734; 9.9782; 18.5024 90; 111.932; 90 | 4749.7 | Zhao, Minhui; Chen, Changle Accessing Multiple Catalytically Active States in Redox-Controlled Olefin Polymerization ACS Catalysis, 2017, 7, 7490 |
4514231 | CIF | C13 H11 Br O2 S | P -1 | 6.6244; 9.5477; 11.0255 69.728; 77.396; 74.138 | 623.31 | Li, Yiming; Wang, Ming; Jiang, Xuefeng Controllable Sulfoxidation and Sulfenylation with Organic Thiosulfate Salts via Dual Electron- and Energy-Transfer Photocatalysis ACS Catalysis, 2017, 7, 7587 |
4514232 | CIF | C26 H26 O6 S | P 21 21 21 | 6.2606; 7.9157; 45.636 90; 90; 90 | 2261.6 | Wu, Zijun; Wang, Jian Enantioselective Medium-Ring Lactone Synthesis through an NHC-Catalyzed Intramolecular Desymmetrization of Prochiral 1,3-Diols ACS Catalysis, 2017, 7, 7647 |
4514233 | CIF | C30 H32 Fe N P S | I 1 2/c 1 | 15.7631; 9.2957; 35.3175 90; 95.742; 90 | 5149.07 | Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration ACS Catalysis, 2017, 7, 7709 |
4514234 | CIF | C28 H32 B Fe P S | P 1 21/n 1 | 18.433; 8.274; 18.909 90; 117.569; 90 | 2556.4 | Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration ACS Catalysis, 2017, 7, 7709 |
4514235 | CIF | C36 H44 B Fe P S | P 1 21/c 1 | 12.13; 11.24; 23.29 90; 96.035; 90 | 3158 | Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration ACS Catalysis, 2017, 7, 7709 |
4514236 | CIF | C42 H41 Fe O P S | P b c a | 17.451; 19.304; 20.241 90; 90; 90 | 6819 | Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration ACS Catalysis, 2017, 7, 7709 |
4514237 | CIF | C28 H29 Cl Fe P S | P c 21 n | 10.13; 14.433; 16.554 90; 90; 90 | 2420.3 | Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration ACS Catalysis, 2017, 7, 7709 |
4514238 | CIF | C29 H29 Fe O P S | P c 21 n | 10.1455; 14.4475; 16.7227 90; 90; 90 | 2451.2 | Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration ACS Catalysis, 2017, 7, 7709 |
4514239 | CIF | C20 H25 B O3 | P 1 21 1 | 6.468; 24.149; 12.121 90; 101.11; 90 | 1857.8 | Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration ACS Catalysis, 2017, 7, 7709 |
4514246 | CIF | C24 H18 O2 S | P 21 21 21 | 9.5092; 12.3167; 15.9826 90; 90; 90 | 1871.91 | Lu, Hong; Zhang, Jia-Lu; Liu, Jin-Yu; Li, Hong-Yu; Xu, Peng-Fei N-Heterocyclic Carbene-Catalyzed Atom-Economical and Enantioselective Construction of the C‒S Bond: Asymmetric Synthesis of Functionalized Thiochromans ACS Catalysis, 2017, 7, 7797 |
4514247 | CIF | C19 H19 N O3 | P 1 21/n 1 | 9.3432; 12.1755; 14.6611 90; 102.176; 90 | 1630.3 | Peng, Xie-Xue; Wei, Dian; Han, Wen-Jun; Chen, Fei; Yu, Wei; Han, Bing Dioxygen Activation via Cu-Catalyzed Cascade Radical Reaction: An Approach to Isoxazoline/Cyclic Nitrone-Featured α-Ketols ACS Catalysis, 2017, 7, 7830 |
4514248 | CIF | C11 H11 N O2 | P 1 21/m 1 | 6.417; 7.0536; 10.791 90; 93.618; 90 | 487.46 | Peng, Xie-Xue; Wei, Dian; Han, Wen-Jun; Chen, Fei; Yu, Wei; Han, Bing Dioxygen Activation via Cu-Catalyzed Cascade Radical Reaction: An Approach to Isoxazoline/Cyclic Nitrone-Featured α-Ketols ACS Catalysis, 2017, 7, 7830 |
4514249 | CIF | C18 H17 N O3 | P 32 | 10.8566; 10.8566; 11.4924 90; 90; 120 | 1173.08 | Peng, Xie-Xue; Wei, Dian; Han, Wen-Jun; Chen, Fei; Yu, Wei; Han, Bing Dioxygen Activation via Cu-Catalyzed Cascade Radical Reaction: An Approach to Isoxazoline/Cyclic Nitrone-Featured α-Ketols ACS Catalysis, 2017, 7, 7830 |
4514250 | CIF | C20 H20 O4 | P 21 21 21 | 5.6577; 8.9036; 32.5408 90; 90; 90 | 1639.21 | Su, Yong-Liang; Han, Zhi-Yong; Li, Yu-Hui; Gong, Liu-Zhu Asymmetric Allylation of Furfural Derivatives: Synergistic Effect of Chiral Ligand and Organocatalyst on Stereochemical Control ACS Catalysis, 2017, 7, 7917 |
4514251 | CIF | C44 H37 Cl4 Ir O3 P2 | P -1 | 11.127; 11.586; 16.948 85.617; 75.929; 70.932 | 2003 | Cohen, Shirel; Borin, Veniamin; Schapiro, Igor; Musa, Sanaa; De-Botton, Sophie; Belkova, Natalia V.; Gelman, Dmitri Ir(III)-PC(sp3)P Bifunctional Catalysts for Production of H2 by Dehydrogenation of Formic Acid: Experimental and Theoretical Study ACS Catalysis, 2017, 7, 8139 |
4514252 | CIF | C44 H32 Cl Ir N O7 P2 | P 1 21/c 1 | 13.554; 25.997; 13.478 90; 108.116; 90 | 4513.7 | Cohen, Shirel; Borin, Veniamin; Schapiro, Igor; Musa, Sanaa; De-Botton, Sophie; Belkova, Natalia V.; Gelman, Dmitri Ir(III)-PC(sp3)P Bifunctional Catalysts for Production of H2 by Dehydrogenation of Formic Acid: Experimental and Theoretical Study ACS Catalysis, 2017, 7, 8139 |
4514253 | CIF | C24 H20 N4 O3 Pd | P -1 | 8.323; 11.108; 11.747 95.97; 98.14; 94.164 | 1065 | Deb, Arghya; Singh, Sukriti; Seth, Kapileswar; Pimparkar, Sandeep; Bhaskararao, Bangaru; Guin, Srimanta; Sunoj, Raghavan B.; Maiti, Debabrata Experimental and Computational Studies on Remote γ-C(sp3)‒H Silylation and Germanylation of Aliphatic Carboxamides ACS Catalysis, 2017, 7, 8171 |
4514278 | CIF | Cu2 Gd4 H104 O120 W19 Zn3 | P -1 | 16.3885; 16.597; 21.2038 91.749; 101.863; 113.393 | 5139.8 | Zhao, Min; Zhang, Xian-Wei; Wu, Chuan-De Structural Transformation of Porous Polyoxometalate Frameworks and Highly Efficient Biomimetic Aerobic Oxidation of Aliphatic Alcohols ACS Catalysis, 2017, 7, 6573 |
4514279 | CIF | Cu2 Gd4 H114 O105 W19 Zn3 | P -1 | 12.3498; 13.2731; 16.0314 68.011; 70.892; 69.811 | 2226.9 | Zhao, Min; Zhang, Xian-Wei; Wu, Chuan-De Structural Transformation of Porous Polyoxometalate Frameworks and Highly Efficient Biomimetic Aerobic Oxidation of Aliphatic Alcohols ACS Catalysis, 2017, 7, 6573 |
4514280 | CIF | C26 H28 N4 O7 Ru S | P 1 21/n 1 | 11.051; 15.235; 16.459 90; 105.354; 90 | 2672.2 | Matheu, Roc; Ertem, Mehmed Z.; Gimbert-Suriñach, Carolina; Benet-Buchholz, Jordi; Sala, Xavier; Llobet, Antoni Hydrogen Bonding Rescues Overpotential in Seven-Coordinated Ru Water Oxidation Catalysts ACS Catalysis, 2017, 7, 6525 |
4514281 | CIF | C17 H25 Ir N2 O6 S | P -1 | 9.919; 10.244; 10.412 65.248; 89.25; 80.89 | 947 | Kanega, Ryoichi; Onishi, Naoya; Szalda, David J.; Ertem, Mehmed Z.; Muckerman, James T.; Fujita, Etsuko; Himeda, Yuichiro CO2 Hydrogenation Catalysts with Deprotonated Picolinamide Ligands ACS Catalysis, 2017, 7, 6426 |
4514282 | CIF | C102 H149 Cl In2 N4 O5 | P 1 | 12.1349; 12.2766; 18.6225 85.388; 74.176; 65.392 | 2425 | Ebrahimi, Tannaz; Aluthge, Dinesh C.; Patrick, Brian O.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa Air- and Moisture-Stable Indium Salan Catalysts for Living Multiblock PLA Formation in Air ACS Catalysis, 2017, 7, 6413 |
4514283 | CIF | C96.95 H139.51 Cl In2 N4 O5 | P 1 | 12.196; 12.295; 18.618 86.04; 73.489; 64.932 | 2420.3 | Ebrahimi, Tannaz; Aluthge, Dinesh C.; Patrick, Brian O.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa Air- and Moisture-Stable Indium Salan Catalysts for Living Multiblock PLA Formation in Air ACS Catalysis, 2017, 7, 6413 |
4514284 | CIF | C86 H128 In2 N4 O6 | P 1 | 12.0666; 12.3213; 18.3525 74.092; 87.97; 65.236 | 2372.91 | Ebrahimi, Tannaz; Aluthge, Dinesh C.; Patrick, Brian O.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa Air- and Moisture-Stable Indium Salan Catalysts for Living Multiblock PLA Formation in Air ACS Catalysis, 2017, 7, 6413 |
4514285 | CIF | C72 H104 In2 N4 O6 | P 1 21/c 1 | 17.557; 19.409; 12.845 90; 99.726; 90 | 4314 | Ebrahimi, Tannaz; Aluthge, Dinesh C.; Patrick, Brian O.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa Air- and Moisture-Stable Indium Salan Catalysts for Living Multiblock PLA Formation in Air ACS Catalysis, 2017, 7, 6413 |
4514286 | CIF | C14 H11 Br N2 O | P 21 21 21 | 5.1494; 10.5103; 23.635 90; 90; 90 | 1279.2 | Hatano, Manabu; Yamakawa, Katsuya; Ishihara, Kazuaki Enantioselective Conjugate Hydrocyanation of α,β-Unsaturated N-Acylpyrroles Catalyzed by Chiral Lithium(I) Phosphoryl Phenoxide ACS Catalysis, 2017, 7, 6686 |
4514289 | CIF | C23 H19 F3 N4 O2 | P 1 21/n 1 | 8.76727; 24.7029; 9.7159 90; 100.555; 90 | 2068.63 | Ye, Jian-Heng; Zhu, Lei; Yan, Si-Shun; Miao, Meng; Zhang, Xin-Chi; Zhou, Wen-Jun; Li, Jing; Lan, Yu; Yu, Da-Gang Radical Trifluoromethylative Dearomatization of Indoles and Furans with CO2 ACS Catalysis, 2017, 7, 8324 |
4514290 | CIF | C20 H20 Cl2 N8 Ru | P -1 | 9.4232; 10.4405; 14.3166 98.121; 99.958; 116.027 | 1208.5 | Telleria, Ainara; Vicent, Cristian; San Nacianceno, Virginia; Garralda, María A.; Freixa, Zoraida Experimental Evidence Supporting Related Mechanisms for Ru(II)-Catalyzed Dehydrocoupling and Hydrolysis of Amine-Boranes ACS Catalysis, 2017, 7, 8394 |
4514291 | CIF | C24 H22 Cl2 N2 O3.95 Ru | P -1 | 6.9529; 11.5712; 16.87 92.79; 99.326; 96.309 | 1328.14 | Telleria, Ainara; Vicent, Cristian; San Nacianceno, Virginia; Garralda, María A.; Freixa, Zoraida Experimental Evidence Supporting Related Mechanisms for Ru(II)-Catalyzed Dehydrocoupling and Hydrolysis of Amine-Boranes ACS Catalysis, 2017, 7, 8394 |
4514292 | CIF | C23 H23 Br Cl11 N5 Ru | P -1 | 10.6051; 10.7857; 16.5095 93.576; 102.19; 107.715 | 1742 | Telleria, Ainara; Vicent, Cristian; San Nacianceno, Virginia; Garralda, María A.; Freixa, Zoraida Experimental Evidence Supporting Related Mechanisms for Ru(II)-Catalyzed Dehydrocoupling and Hydrolysis of Amine-Boranes ACS Catalysis, 2017, 7, 8394 |
4514293 | CIF | C46 H48 N4 Zn | P -1 | 12.1191; 13.987; 14.338 66.838; 73.267; 64.731 | 1999.6 | Lortie, John L.; Dudding, Travis; Gabidullin, Bulat M.; Nikonov, Georgii I. Zinc-Catalyzed Hydrosilylation and Hydroboration of N-Heterocycles ACS Catalysis, 2017, 7, 8454 |
4514298 | CIF | C34.67 H38.67 Cl0.67 N1.33 Ni0.67 P0.67 | P 1 21/n 1 | 13.1807; 21.777; 15.5892 90; 97.999; 90 | 4431.1 | Nazari, S. Hadi; Bourdeau, Jefferson E.; Talley, Michael R.; Valdivia-Berroeta, Gabriel A.; Smith, Stacey J.; Michaelis, David J. Nickel-Catalyzed Suzuki Cross Couplings with Unprotected Allylic Alcohols Enabled by Bidentate N-Heterocyclic Carbene (NHC)/Phosphine Ligands ACS Catalysis, 2017, 8, 86 |
4514299 | CIF | C18 H18 O2 S2 | C 1 2/c 1 | 18.468; 5.7696; 29.486 90; 91.375; 90 | 3140.9 | Lanzi, Matteo; Cañeque, Tatiana; Marchiò, Luciano; Maggi, Raimondo; Bigi, Franca; Malacria, Max; Maestri, Giovanni Alternative Routes to Tricyclic Cyclohexenes with Trinuclear Palladium Complexes ACS Catalysis, 2017, 8, 144 |
4514300 | CIF | C29 H29 N O3 S | C 1 2/c 1 | 19.9655; 9.2515; 27.268 90; 104.314; 90 | 4880.3 | Lanzi, Matteo; Cañeque, Tatiana; Marchiò, Luciano; Maggi, Raimondo; Bigi, Franca; Malacria, Max; Maestri, Giovanni Alternative Routes to Tricyclic Cyclohexenes with Trinuclear Palladium Complexes ACS Catalysis, 2017, 8, 144 |
4514301 | CIF | C121 H176 O12 P2 Sc2 | P 1 21/n 1 | 17.6216; 14.3906; 22.3619 90; 91.6518; 90 | 5668.3 | Xu, Pengfei; Xu, Xin Homoleptic Rare-Earth Aryloxide Based Lewis Pairs for Polymerization of Conjugated Polar Alkenes ACS Catalysis, 2017, 8, 198 |
4514302 | CIF | C60 H86 O5 P Sc | P 1 21/c 1 | 13.4046; 15.1609; 28.5176 90; 103.471; 90 | 5636.1 | Xu, Pengfei; Xu, Xin Homoleptic Rare-Earth Aryloxide Based Lewis Pairs for Polymerization of Conjugated Polar Alkenes ACS Catalysis, 2017, 8, 198 |
4514315 | CIF | C30 H28 N2 O2 S | P 1 | 9.528; 10.803; 12.452 94.682; 100.658; 98.889 | 1236.4 | Hatano, Manabu; Mochizuki, Takuya; Nishikawa, Keisuke; Ishihara, Kazuaki Enantioselective Aza-Friedel‒Crafts Reaction of Indoles with Ketimines Catalyzed by Chiral Potassium Binaphthyldisulfonates ACS Catalysis, 2017, 8, 349 |
4514316 | CIF | C60 H48 Ca O10 S2 | P 1 21 1 | 15.348; 11.244; 17.721 90; 102.716; 90 | 2983 | Hatano, Manabu; Mochizuki, Takuya; Nishikawa, Keisuke; Ishihara, Kazuaki Enantioselective Aza-Friedel‒Crafts Reaction of Indoles with Ketimines Catalyzed by Chiral Potassium Binaphthyldisulfonates ACS Catalysis, 2017, 8, 349 |
4514318 | CIF | C92 H76 Cl4 O10 Rh2 | P 21 21 21 | 15.5416; 22.2438; 23.488 90; 90; 90 | 8119.9 | Liao, Kuangbiao; Liu, Wenbin; Niemeyer, Zachary L.; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Sigman, Mathew S.; Davies, Huw M. L. Site-Selective Carbene-Induced C‒H Functionalization Catalyzed by Dirhodium Tetrakis(triarylcyclopropanecarboxylate) Complexes ACS Catalysis, 2017, 8, 678 |
4514319 | CIF | C124 H114 O11 Rh2 | P 1 21 1 | 11.764; 17.436; 26.079 90; 91.389; 90 | 5348 | Liao, Kuangbiao; Liu, Wenbin; Niemeyer, Zachary L.; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Sigman, Mathew S.; Davies, Huw M. L. Site-Selective Carbene-Induced C‒H Functionalization Catalyzed by Dirhodium Tetrakis(triarylcyclopropanecarboxylate) Complexes ACS Catalysis, 2017, 8, 678 |
4514320 | CIF | C18 H43.6 Ca I2 N6 O6.8 | P 1 21/c 1 | 12.5906; 22.4298; 11.671 90; 101.86; 90 | 3225.58 | Longwitz, Lars; Steinbauer, Johannes; Spannenberg, Anke; Werner, Thomas Calcium-Based Catalytic System for the Synthesis of Bio-Derived Cyclic Carbonates under Mild Conditions ACS Catalysis, 2017, 8, 665 |
4514321 | CIF | C18 H39 Ca I2 N3 O7 | P 1 21/n 1 | 10.6093; 7.3183; 18.0196 90; 96.6981; 90 | 1389.53 | Longwitz, Lars; Steinbauer, Johannes; Spannenberg, Anke; Werner, Thomas Calcium-Based Catalytic System for the Synthesis of Bio-Derived Cyclic Carbonates under Mild Conditions ACS Catalysis, 2017, 8, 665 |
4514324 | CIF | C18 H17 F O2 | P 1 21 1 | 5.7745; 15.6042; 16.0104 90; 94.458; 90 | 1438.28 | Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M. Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex ACS Catalysis, 2017, 8, 790 |
4514325 | CIF | C40 H32 Cl2 F4 Ir2 | P 21 21 2 | 20.627; 10.6003; 14.9178 90; 90; 90 | 3261.8 | Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M. Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex ACS Catalysis, 2017, 8, 790 |
4514326 | CIF | C17 H13 Br F2 O2 | P 1 21 1 | 18.1462; 7.5224; 22.412 90; 92.604; 90 | 3056.1 | Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M. Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex ACS Catalysis, 2017, 8, 790 |
4514327 | CIF | C14 H18 F N O2 S | P 1 21 1 | 6.1963; 13.8442; 8.5199 90; 101.713; 90 | 715.64 | Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M. Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex ACS Catalysis, 2017, 8, 790 |
4514328 | CIF | C22 H27 F O2 | P 21 21 21 | 5.9526; 9.1966; 33.092 90; 90; 90 | 1811.6 | Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M. Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex ACS Catalysis, 2017, 8, 790 |
4514336 | CIF | C34 H33 Br N4 O2 | P -1 | 8.4938; 10.8107; 16.6719 104.927; 95.326; 99.344 | 1445 | Korvorapun, Korkit; Kaplaneris, Nikolaos; Rogge, Torben; Warratz, Svenja; Stückl, A. Claudia; Ackermann, Lutz Sequential meta-/ortho-C‒H Functionalizations by One-Pot Ruthenium(II/III) Catalysis ACS Catalysis, 2018, 8, 886 |
4514337 | CIF | C21 H27 N3 O | P -1 | 10.1934; 10.7135; 17.2661 89.316; 85.141; 82.592 | 1863.12 | Korvorapun, Korkit; Kaplaneris, Nikolaos; Rogge, Torben; Warratz, Svenja; Stückl, A. Claudia; Ackermann, Lutz Sequential meta-/ortho-C‒H Functionalizations by One-Pot Ruthenium(II/III) Catalysis ACS Catalysis, 2018, 8, 886 |
4514338 | CIF | C23 H21 N3 O3 | P 21 21 21 | 6.2748; 13.137; 24.081 90; 90; 90 | 1985 | Korvorapun, Korkit; Kaplaneris, Nikolaos; Rogge, Torben; Warratz, Svenja; Stückl, A. Claudia; Ackermann, Lutz Sequential meta-/ortho-C‒H Functionalizations by One-Pot Ruthenium(II/III) Catalysis ACS Catalysis, 2018, 8, 886 |
4514339 | CIF | C17 H21 N3 O | P 1 21/n 1 | 10.0808; 9.7488; 15.9224 90; 108.079; 90 | 1487.53 | Korvorapun, Korkit; Kaplaneris, Nikolaos; Rogge, Torben; Warratz, Svenja; Stückl, A. Claudia; Ackermann, Lutz Sequential meta-/ortho-C‒H Functionalizations by One-Pot Ruthenium(II/III) Catalysis ACS Catalysis, 2018, 8, 886 |
4514340 | CIF | C17 H19 N3 O2 | P 1 21/n 1 | 10.0431; 9.7828; 15.4733 90; 99.887; 90 | 1497.7 | Korvorapun, Korkit; Kaplaneris, Nikolaos; Rogge, Torben; Warratz, Svenja; Stückl, A. Claudia; Ackermann, Lutz Sequential meta-/ortho-C‒H Functionalizations by One-Pot Ruthenium(II/III) Catalysis ACS Catalysis, 2018, 8, 886 |
4514341 | CIF | C25 H21 F N2 O7 Se | P 1 21 1 | 9.722; 6.1683; 19.747 90; 102.561; 90 | 1155.8 | See, Jie Yang; Yang, Hui; Zhao, Yu; Wong, Ming Wah; Ke, Zhihai; Yeung, Ying-Yeung Desymmetrizing Enantio- and Diastereoselective Selenoetherification through Supramolecular Catalysis ACS Catalysis, 2018, 8, 850 |
4514342 | CIF | C27 H39 O4.5 S0.5 Se | P 1 | 12.1582; 19.1469; 23.6521 80.268; 80.837; 84.148 | 5341.6 | See, Jie Yang; Yang, Hui; Zhao, Yu; Wong, Ming Wah; Ke, Zhihai; Yeung, Ying-Yeung Desymmetrizing Enantio- and Diastereoselective Selenoetherification through Supramolecular Catalysis ACS Catalysis, 2018, 8, 850 |
4514343 | CIF | C18 H18 F2 O4 Se | P 1 21 1 | 6.7417; 22.7327; 16.9277 90; 101.477; 90 | 2542.4 | See, Jie Yang; Yang, Hui; Zhao, Yu; Wong, Ming Wah; Ke, Zhihai; Yeung, Ying-Yeung Desymmetrizing Enantio- and Diastereoselective Selenoetherification through Supramolecular Catalysis ACS Catalysis, 2018, 8, 850 |
4514344 | CIF | C31 H50 B N2 P Ru | P -1 | 9.9745; 14.6282; 21.2096 103.406; 99.818; 90.008 | 2963.7 | Beguerie, Marion; Dinoi, Chiara; del Rosal, Iker; Faradji, Charly; Alcaraz, Gilles; Vendier, Laure; Sabo-Etienne, Sylviane Mechanistic Studies on the Catalytic Synthesis of BN Heterocycles (1H-2,1-Benzazaboroles) at Ruthenium ACS Catalysis, 2018, 8, 939 |
4514345 | CIF | C59 H96 Mn N O4 P2 | P 1 21/m 1 | 12.513; 17.266; 12.709 90; 107.182; 90 | 2623.2 | Kulkarni, Naveen V.; Brennessel, William W.; Jones, William D. Catalytic Upgrading of Ethanol to n-Butanol via Manganese-Mediated Guerbet Reaction ACS Catalysis, 2018, 8, 997 |
4514346 | CIF | C47.5 H72 Br Cl3 Mn N O2 P2 | P 1 21 1 | 16.074; 19.166; 16.17 90; 113.805; 90 | 4557.8 | Kulkarni, Naveen V.; Brennessel, William W.; Jones, William D. Catalytic Upgrading of Ethanol to n-Butanol via Manganese-Mediated Guerbet Reaction ACS Catalysis, 2018, 8, 997 |
4514350 | CIF | C46 H38 F12 Fe2 N10 O15 S4 | P -1 | 11.9405; 12.2853; 20.3054 103.183; 102.56; 98.477 | 2769.26 | Kottrup, Konstantin G.; D'Agostini, Silvia; van Langevelde, Phebe H.; Siegler, Maxime A.; Hetterscheid, Dennis G. H. Catalytic Activity of an Iron-Based Water Oxidation Catalyst: Substrate Effects of Graphitic Electrodes. ACS catalysis, 2018, 8, 1052-1061 |
4514351 | CIF | C20 H26 O6 | P 1 21 1 | 20.0688; 9.57471; 21.8114 90; 113.315; 90 | 3848.9 | Verrier, Charlie; Alandini, Nurtalya; Pezzetta, Cristofer; Moliterno, Mauro; Buzzetti, Luca; Hepburn, Hamish B.; Vega-Peñaloza, Alberto; Silvi, Mattia; Melchiorre, Paolo Direct Stereoselective Installation of Alkyl Fragments at the β-Carbon of Enals via Excited Iminium Ion Catalysis ACS Catalysis, 2018, 8, 1062 |
4514352 | CIF | C31 H27 Fe N3 O S4 | P -1 | 11.0218; 16.5594; 17.2264 76.1184; 89.3326; 82.0211 | 3021.9 | Das, Uttam K.; Higman, Carolyn S.; Gabidullin, Bulat; Hein, Jason E.; Baker, R. Tom Efficient and Selective Iron-Complex-Catalyzed Hydroboration of Aldehydes ACS Catalysis, 2018, 8, 1076 |
4514353 | CIF | C32 H32 Fe N2 O S4 | P -1 | 10.4477; 12.8949; 13.2739 64.316; 67.177; 79.099 | 1484.95 | Das, Uttam K.; Higman, Carolyn S.; Gabidullin, Bulat; Hein, Jason E.; Baker, R. Tom Efficient and Selective Iron-Complex-Catalyzed Hydroboration of Aldehydes ACS Catalysis, 2018, 8, 1076 |
4514354 | CIF | C33 H36 Fe N3 O3 P S4 | P n a 21 | 28.2857; 7.9962; 15.1492 90; 90; 90 | 3426.42 | Das, Uttam K.; Higman, Carolyn S.; Gabidullin, Bulat; Hein, Jason E.; Baker, R. Tom Efficient and Selective Iron-Complex-Catalyzed Hydroboration of Aldehydes ACS Catalysis, 2018, 8, 1076 |
4514356 | CIF | C18 H37 Cl4 Cr Li N2 O2 P | P 1 21/c 1 | 10.0101; 19.2905; 14.2617 90; 110.537; 90 | 2578.9 | Kwon, Doo-Hyun; Fuller, Jack T.; Kilgore, Uriah J.; Sydora, Orson L.; Bischof, Steven M.; Ess, Daniel H. Computational Transition-State Design Provides Experimentally Verified Cr(P,N) Catalysts for Control of Ethylene Trimerization and Tetramerization ACS Catalysis, 2018, 8, 1138 |
4514357 | CIF | C30 H27 Br N2 O | P b c a | 9.92477; 18.1707; 27.0531 90; 90; 90 | 4878.76 | Arokianathar, Jude N.; Frost, Aileen B.; Slawin, Alexandra M. Z.; Stead, Darren; Smith, Andrew D. Isothiourea-Catalyzed Enantioselective Addition of 4-Nitrophenyl Esters to Iminium Ions ACS Catalysis, 2018, 8, 1153 |
4514358 | CIF | C30 H27.67 Br N2 O1.33 | P -1 | 14.476; 17.657; 18.147 81.051; 77.873; 82.012 | 4452.5 | Arokianathar, Jude N.; Frost, Aileen B.; Slawin, Alexandra M. Z.; Stead, Darren; Smith, Andrew D. Isothiourea-Catalyzed Enantioselective Addition of 4-Nitrophenyl Esters to Iminium Ions ACS Catalysis, 2018, 8, 1153 |
4514359 | CIF | C94 H68 Br4 Cl4 N4 Ni2 | P 1 21/n 1 | 11.4354; 18.923; 18.566 90; 97.981; 90 | 3978.6 | Pei, Lixia; Liu, Fengshou; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing Synthesis of Polyethylenes with Controlled Branching with α-Diimine Nickel Catalysts and Revisiting Formation of Long-Chain Branching ACS Catalysis, 2018, 8, 1104 |
4514360 | CIF | C52 H44 Br2 Cl8 N2 Ni | I b a 2 | 24.752; 10.97; 22.093 90; 90; 90 | 5999 | Pei, Lixia; Liu, Fengshou; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing Synthesis of Polyethylenes with Controlled Branching with α-Diimine Nickel Catalysts and Revisiting Formation of Long-Chain Branching ACS Catalysis, 2018, 8, 1104 |
4514361 | CIF | C38 H36 Br2 N2 Ni | P 1 21/c 1 | 13.579; 14.443; 18.148 90; 109.503; 90 | 3355 | Pei, Lixia; Liu, Fengshou; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing Synthesis of Polyethylenes with Controlled Branching with α-Diimine Nickel Catalysts and Revisiting Formation of Long-Chain Branching ACS Catalysis, 2018, 8, 1104 |
4514363 | CIF | C23 H47 Fe N2 O3 P2 | P 1 21/c 1 | 16.336; 12.2113; 27.367 90; 91.146; 90 | 5458.2 | Jayarathne, Upul; Hazari, Nilay; Bernskoetter, Wesley H. Selective Iron-Catalyzed N-Formylation of Amines using Dihydrogen and Carbon Dioxide ACS Catalysis, 2018, 8, 1338 |
4514364 | CIF | C19 H39 Fe N O2 P2 | P 1 21/c 1 | 19.086; 16.908; 15.109 90; 113.043; 90 | 4486.7 | Jayarathne, Upul; Hazari, Nilay; Bernskoetter, Wesley H. Selective Iron-Catalyzed N-Formylation of Amines using Dihydrogen and Carbon Dioxide ACS Catalysis, 2018, 8, 1338 |
4514365 | CIF | C21 H40 F6 Fe Li N O8 P2 S2 | P 1 21/n 1 | 8.6289; 29.4056; 13.2362 90; 108.974; 90 | 3176 | Jayarathne, Upul; Hazari, Nilay; Bernskoetter, Wesley H. Selective Iron-Catalyzed N-Formylation of Amines using Dihydrogen and Carbon Dioxide ACS Catalysis, 2018, 8, 1338 |
4514366 | CIF | C78 H94 Ag4 F9 N24 O22 S6 | P 21 3 | 35.2177; 35.2177; 35.2177 90; 90; 90 | 43680 | Chang, Zhiduo; Jing, Xu; He, Cheng; Liu, Xin; Duan, Chunying Silver Clusters as Robust Nodes and π‒Activation Sites for the Construction of Heterogeneous Catalysts for the Cycloaddition of Propargylamines ACS Catalysis, 2018, 8, 1384 |
4514367 | CIF | C150 H164 Ag8 F9 N53 O25 S12 | P 21 3 | 35.191; 35.191; 35.191 90; 90; 90 | 43580.8 | Chang, Zhiduo; Jing, Xu; He, Cheng; Liu, Xin; Duan, Chunying Silver Clusters as Robust Nodes and π‒Activation Sites for the Construction of Heterogeneous Catalysts for the Cycloaddition of Propargylamines ACS Catalysis, 2018, 8, 1384 |
4514368 | CIF | C120 H162 Ag8 F0 N60 O18 S13 | P a -3 | 35.835; 35.835; 35.835 90; 90; 90 | 46017 | Chang, Zhiduo; Jing, Xu; He, Cheng; Liu, Xin; Duan, Chunying Silver Clusters as Robust Nodes and π‒Activation Sites for the Construction of Heterogeneous Catalysts for the Cycloaddition of Propargylamines ACS Catalysis, 2018, 8, 1384 |
4514369 | CIF | C16 H15 Cl O2 | P 21 21 21 | 6.78; 10.4553; 18.9129 90; 90; 90 | 1340.7 | Gollapelli, Krishna Kumar; Donikela, Sangeetha; Manjula, Nemali; Chegondi, Rambabu Rhodium-Catalyzed Highly Regio- and Enantioselective Reductive Cyclization of Alkyne-Tethered Cyclohexadienones ACS Catalysis, 2018, 8, 1440 |
4514377 | CIF | C45 H38 Ni O P2 | P -1 | 9.418; 10.2752; 18.5554 94.536; 92.905; 96.975 | 1773.5 | Zhang, Xin; Tutkowski, Brandon; Oliver, Allen; Helquist, Paul; Wiest, Olaf Mechanistic Study of the Nickel-Catalyzed α,β-Coupling of Saturated Ketones ACS Catalysis, 2018, 8, 1740 |
4514378 | CIF | C9 H7 N O2 | P 21 21 21 | 4.3637; 8.4176; 20.062 90; 90; 90 | 736.915 | Zhu, Gongming; Li, Yiping; Bao, Guangjun; Sun, Wangsheng; Huang, Liwu; Hong, Liang; Wang, Rui Catalytic Kinetic Resolution of Spiro-Epoxyoxindoles with 1-Naphthols: Switchable Asymmetric Tandem Dearomatization/Oxa-Michael Reaction and Friedel–Crafts Alkylation of 1-Naphthols at the C4 Position ACS Catalysis, 2018, 1810 |
4514379 | CIF | C26 H20 Br N O3 | P 21 21 21 | 9.4584; 13.011; 17.4 90; 90; 90 | 2141.3 | Zhu, Gongming; Li, Yiping; Bao, Guangjun; Sun, Wangsheng; Huang, Liwu; Hong, Liang; Wang, Rui Catalytic Kinetic Resolution of Spiro-Epoxyoxindoles with 1-Naphthols: Switchable Asymmetric Tandem Dearomatization/Oxa-Michael Reaction and Friedel‒Crafts Alkylation of 1-Naphthols at the C4 Position ACS Catalysis, 2018, 1810 |
4514380 | CIF | C21 H21 N O3 | P 1 21/c 1 | 13.6373; 15.8546; 8.1178 90; 104.499; 90 | 1699.28 | Kuppusamy, Ramajayam; Santhoshkumar, Rajagopal; Boobalan, Ramadoss; Wu, Hsin-Ru; Cheng, Chien-Hong Synthesis of 1,2-Dihydroquinolines by Co(III)-Catalyzed [3 + 3] Annulation of Anilides with Benzylallenes ACS Catalysis, 2018, 8, 1880 |
4514381 | CIF | C20 H20 Cl N O4 | P 21 21 21 | 9.027; 10.076; 20.28 90; 90; 90 | 1844.6 | Esteban, Francisco; Cieślik, Wioleta; Arpa, Enrique M.; Guerrero-Corella, Andrea; Díaz-Tendero, Sergio; Perles, Josefina; Fernández-Salas, José A; Fraile, Alberto; Alemán, José Intramolecular Hydrogen Bond Activation: Thiourea-Organocatalyzed Enantioselective 1,3-Dipolar Cycloaddition of Salicylaldehyde-Derived Azomethine Ylides with Nitroalkenes. ACS catalysis, 2018, 8, 1884-1890 |
4514382 | CIF | C20 H19 N O4 | P 1 21 1 | 8.8134; 9.1977; 10.6394 90; 94.6009; 90 | 859.68 | Esteban, Francisco; Cieślik, Wioleta; Arpa, Enrique M.; Guerrero-Corella, Andrea; Díaz-Tendero, Sergio; Perles, Josefina; Fernández-Salas, José A; Fraile, Alberto; Alemán, José Intramolecular Hydrogen Bond Activation: Thiourea-Organocatalyzed Enantioselective 1,3-Dipolar Cycloaddition of Salicylaldehyde-Derived Azomethine Ylides with Nitroalkenes. ACS catalysis, 2018, 8, 1884-1890 |
4514383 | CIF | C18 H17 Br N2 O5 | P 21 21 2 | 13.9676; 23.8405; 5.5166 90; 90; 90 | 1837 | Esteban, Francisco; Cieślik, Wioleta; Arpa, Enrique M.; Guerrero-Corella, Andrea; Díaz-Tendero, Sergio; Perles, Josefina; Fernández-Salas, José A; Fraile, Alberto; Alemán, José Intramolecular Hydrogen Bond Activation: Thiourea-Organocatalyzed Enantioselective 1,3-Dipolar Cycloaddition of Salicylaldehyde-Derived Azomethine Ylides with Nitroalkenes. ACS catalysis, 2018, 8, 1884-1890 |
4514384 | CIF | C24 H29 N2 O3 Rh S | P 1 21/n 1 | 9.8164; 14.358; 17.0526 90; 90.736; 90 | 2403.26 | Ran, You; Yang, Yudong; You, Huansha; You, Jingsong RhCl3-Catalyzed Oxidative C‒H/C‒H Cross-Coupling of (Hetero)aromatic Sulfonamides with (Hetero)arenes ACS Catalysis, 2018, 8, 1796 |
4514387 | CIF | C26 H24 Br N O | P 1 21 1 | 11.693; 6.314; 15.57 90; 103.875; 90 | 1116 | Huang, Jian-Qiang; Liu, Wei; Zheng, Bao-Hui; Liu, Xiu Yan; Yang, Zhen; Ding, Chang-Hua; Li, Hao; Peng, Qian; Hou, Xue-Long Pd-Catalyzed Asymmetric Cyclopropanation Reaction of Acyclic Amides with Allyl and Polyenyl Carbonates. Experimental and Computational Studies for the Origin of Cyclopropane Formation ACS Catalysis, 2018, 8, 1964 |
4514388 | CIF | C23 H22 F6 N3 P Pd | P 1 21/n 1 | 11.7229; 13.9765; 13.8227 90; 91.721; 90 | 2263.8 | Huang, Jian-Qiang; Liu, Wei; Zheng, Bao-Hui; Liu, Xiu Yan; Yang, Zhen; Ding, Chang-Hua; Li, Hao; Peng, Qian; Hou, Xue-Long Pd-Catalyzed Asymmetric Cyclopropanation Reaction of Acyclic Amides with Allyl and Polyenyl Carbonates. Experimental and Computational Studies for the Origin of Cyclopropane Formation ACS Catalysis, 2018, 8, 1964 |
4514394 | CIF | C24 H33 Ir N2 O6 | P 1 21/n 1 | 14.1793; 34.531; 16.0684 90; 113.726; 90 | 7202.5 | Yuan, Hongmei; Brennessel, William W.; Jones, William D. Effect of Carboxylate Ligands on Alkane Dehydrogenation with (dmPhebox)Ir Complexes ACS Catalysis, 2018, 8, 2326 |
4514395 | CIF | C28 H43 Ir N2 O7 | P 1 21/c 1 | 17.9996; 11.5553; 15.0325 90; 100.311; 90 | 3076.1 | Yuan, Hongmei; Brennessel, William W.; Jones, William D. Effect of Carboxylate Ligands on Alkane Dehydrogenation with (dmPhebox)Ir Complexes ACS Catalysis, 2018, 8, 2326 |
4514396 | CIF | C34 H39 Ir N2 O7 | P -1 | 10.4412; 11.3139; 13.9001 75.379; 83.373; 84.494 | 1574.4 | Yuan, Hongmei; Brennessel, William W.; Jones, William D. Effect of Carboxylate Ligands on Alkane Dehydrogenation with (dmPhebox)Ir Complexes ACS Catalysis, 2018, 8, 2326 |
4514397 | CIF | C28 H39 Ir N2 O7 | P 1 21/c 1 | 12.1132; 39.536; 11.7754 90; 94.196; 90 | 5624.2 | Yuan, Hongmei; Brennessel, William W.; Jones, William D. Effect of Carboxylate Ligands on Alkane Dehydrogenation with (dmPhebox)Ir Complexes ACS Catalysis, 2018, 8, 2326 |
4514398 | CIF | C87 H190 N3 O38 P Si3 Ti W9 | P b c a | 20.2301; 28.431; 43.025 90; 90; 90 | 24746 | Zhang, Teng; Mazaud, Louis; Chamoreau, Lise-Marie; Paris, Céline; Proust, Anna; Guillemot, Geoffroy Unveiling the Active Surface Sites in Heterogeneous Titanium-Based Silicalite Epoxidation Catalysts: Input of Silanol-Functionalized Polyoxotungstates as Soluble Analogues ACS Catalysis, 2018, 8, 2330 |
4514400 | CIF | C27 H18 O2 | P 1 21/c 1 | 17.4516; 7.5513; 15.134 90; 107.604; 90 | 1900.99 | Mondal, Atanu; Hazra, Raju; Grover, Jagdeep; Raghu, Moluguri; Ramasastry, S. S. V. Organophosphine-Catalyzed Intramolecular Hydroacylation of Activated Alkynes ACS Catalysis, 2018, 8, 2748 |
4514401 | CIF | C61 H51 Cl3 F6 N3 P3 Ru | P 1 21/c 1 | 10.0272; 23.326; 22.7595 90; 95.922; 90 | 5294.9 | Paul, Bhaskar; Shee, Sujan; Panja, Dibyajyoti; Chakrabarti, Kaushik; Kundu, Sabuj Direct Synthesis of N,N-Dimethylated and β-Methyl N,N-Dimethylated Amines from Nitriles Using Methanol: Experimental and Computational Studies ACS Catalysis, 2018, 8, 2890 |
4514406 | CIF | C52 H49 Cl2 I O2 P2 Pd | P 1 21 1 | 11.6182; 17.9333; 12.329 90; 115.788; 90 | 2312.95 | Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor Catalytic Asymmetric C‒H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines ACS Catalysis, 2019, 9, 5268 |
4514407 | CIF | C37 H36 Cr N O5 P | P 21 21 21 | 7.15; 19.5691; 24.0399 90; 90; 90 | 3363.6 | Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor Catalytic Asymmetric C‒H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines ACS Catalysis, 2019, 9, 5268 |
4514408 | CIF | C62 H74.56 Ag O4.78 P2 | I 1 2 1 | 11.7485; 26.0007; 18.5841 90; 106.036; 90 | 5456 | Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor Catalytic Asymmetric C‒H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines ACS Catalysis, 2019, 9, 5268 |
4514409 | CIF | C31 H31 N O3 S | P 1 21/c 1 | 6.4182; 21.7785; 19.0994 90; 96.787; 90 | 2651 | Li, Man-Bo; Grape, Erik Svensson; Bäckvall, Jan-E. Palladium-Catalyzed Stereospecific Oxidative Cascade Reaction of Allenes for the Construction of Pyrrole Rings: Control of Reactivity and Selectivity ACS Catalysis, 2019, 9, 5184 |
4514412 | CIF | C20 H26 Cl Rh | P 1 21/c 1 | 7.4511; 12.8249; 18.6937 90; 94.11; 90 | 1781.8 | Burman, Jacob S.; Harris, Robert J.; B. Farr, Caitlin M.; Bacsa, John; Blakey, Simon B. Rh(III) and Ir(III)Cp* Complexes Provide Complementary Regioselectivity Profiles in Intermolecular Allylic C‒H Amidation Reactions ACS Catalysis, 2019, 9, 5474 |
4514413 | CIF | C20 H26 Cl Ir | P 1 21/c 1 | 7.46343; 12.81878; 18.68909 90; 93.9187; 90 | 1783.84 | Burman, Jacob S.; Harris, Robert J.; B. Farr, Caitlin M.; Bacsa, John; Blakey, Simon B. Rh(III) and Ir(III)Cp* Complexes Provide Complementary Regioselectivity Profiles in Intermolecular Allylic C‒H Amidation Reactions ACS Catalysis, 2019, 9, 5474 |
4514414 | CIF | C15 H27 Br2 Co N3 | P 1 21/c 1 | 10.8842; 11.4192; 15.8101 90; 104.557; 90 | 1901.94 | Pattanaik, Sandip; Gunanathan, Chidambaram Cobalt-Catalyzed Selective Synthesis of Disiloxanes and Hydrodisiloxanes ACS Catalysis, 2019, 9, 5552 |
4514415 | CIF | C17 H15 N3 O2 | P 1 21/c 1 | 11.1449; 12.2086; 11.4303 90; 107.468; 90 | 1483.5 | Zhao, Kang; Du, Rongrong; Wang, Bingyang; Liu, Jianhua; Xia, Chungu; Yang, Lei RhCl3·3H2O-Catalyzed Regioselective C(sp2)‒H Alkoxycarbonylation: Efficient Synthesis of Indole- and Pyrrole-2-carboxylic Acid Esters ACS Catalysis, 2019, 9, 5545 |
4514416 | CIF | C22 H25 N3 O4 | P -1 | 8.7858; 9.9521; 13.706 100.933; 94.003; 112.813 | 1070.9 | Zhao, Kang; Du, Rongrong; Wang, Bingyang; Liu, Jianhua; Xia, Chungu; Yang, Lei RhCl3·3H2O-Catalyzed Regioselective C(sp2)‒H Alkoxycarbonylation: Efficient Synthesis of Indole- and Pyrrole-2-carboxylic Acid Esters ACS Catalysis, 2019, 9, 5545 |
4514417 | CIF | C18 H15 N3 O2 | P b c a | 15.251; 10.6393; 19.017 90; 90; 90 | 3085.7 | Zhao, Kang; Du, Rongrong; Wang, Bingyang; Liu, Jianhua; Xia, Chungu; Yang, Lei RhCl3·3H2O-Catalyzed Regioselective C(sp2)‒H Alkoxycarbonylation: Efficient Synthesis of Indole- and Pyrrole-2-carboxylic Acid Esters ACS Catalysis, 2019, 9, 5545 |
4514418 | CIF | C15 H11 N3 O2 | C 1 2/c 1 | 19.26; 6.4425; 20.274 90; 100.533; 90 | 2473.3 | Zhao, Kang; Du, Rongrong; Wang, Bingyang; Liu, Jianhua; Xia, Chungu; Yang, Lei RhCl3·3H2O-Catalyzed Regioselective C(sp2)‒H Alkoxycarbonylation: Efficient Synthesis of Indole- and Pyrrole-2-carboxylic Acid Esters ACS Catalysis, 2019, 9, 5545 |
4514419 | CIF | C12 H10 I N O | P 1 21/c 1 | 16.093; 9.8036; 6.9586 90; 93.02; 90 | 1096.33 | Chen, Fumin; He, Dongxu; Chen, Li; Chang, Xiaoyong; Wang, David Zhigang; Xu, Chen; Xing, Xiangyou Chirality-Economy Catalysis: Asymmetric Transfer Hydrogenation of Ketones by Ru-Catalysts of Minimal Stereogenicity ACS Catalysis, 2019, 9, 5562 |
4514420 | CIF | C59 H60 Cl2 N2 P2 Ru | P 21 21 21 | 10.9656; 11.9509; 38.4007 90; 90; 90 | 5032.4 | Chen, Fumin; He, Dongxu; Chen, Li; Chang, Xiaoyong; Wang, David Zhigang; Xu, Chen; Xing, Xiangyou Chirality-Economy Catalysis: Asymmetric Transfer Hydrogenation of Ketones by Ru-Catalysts of Minimal Stereogenicity ACS Catalysis, 2019, 9, 5562 |
4514434 | CIF | C14 H14 O3 | P 21 21 21 | 6.44696; 6.98494; 23.6748 90; 90; 90 | 1066.11 | Park, Sung Hwan; Wang, Shou-Guo; Cramer, Nicolai Enantioselective Ruthenium(II)-Catalyzed Access to Benzonorcaradienes by Coupling of Oxabenzonorbornadienes and Alkynes ACS Catalysis, 2019, 10226 |
4514435 | CIF | C24 H19 F O2 S | P 21 21 21 | 5.101; 15.6195; 23.695 90; 90; 90 | 1887.9 | Moku, Balakrishna; Fang, Wan-Yin; Leng, Jing; Kantchev, Eric Assen B.; Qin, Hua-Li Rh(I)‒Diene-Catalyzed Addition of (Hetero)aryl Functionality to 1,3-Dienylsulfonyl Fluorides Achieving Exclusive Regioselectivity and High Enantioselectivity: Generality and Mechanism ACS Catalysis, 2019, 10477 |
4514436 | CIF | C16 H14 Br F O2 S | P 1 21/n 1 | 9.7166; 31.009; 16.0484 90; 97.583; 90 | 4793.1 | Moku, Balakrishna; Fang, Wan-Yin; Leng, Jing; Kantchev, Eric Assen B.; Qin, Hua-Li Rh(I)‒Diene-Catalyzed Addition of (Hetero)aryl Functionality to 1,3-Dienylsulfonyl Fluorides Achieving Exclusive Regioselectivity and High Enantioselectivity: Generality and Mechanism ACS Catalysis, 2019, 10477 |
4514437 | CIF | C10 H19 B10 N O | P b c a | 9.4145; 16.7722; 20.1088 90; 90; 90 | 3175.2 | Baek, Yonghyeon; Kim, Suhui; Son, Jeong-Yu; Lee, Kooyeon; Kim, Dongwook; Lee, Phil Ho Rhodium-Catalyzed Amidation of the Cage B(4)‒H Bond in o-Carboranes with Dioxazolones by Carboxylic Acid-Assisted B(4)‒H Bond Activation ACS Catalysis, 2019, 10418 |
4514438 | CIF | C17 H25 N O | P 1 21/c 1 | 11.5032; 10.3652; 12.7281 90; 102.844; 90 | 1479.6 | Lorenc, Chris; Vibbert, Hunter B.; Yao, Chengbo; Norton, Jack R.; Rauch, Michael H· Transfer-Initiated Synthesis of γ-Lactams: Interpretation of Cycloisomerization and Hydrogenation Ratios ACS Catalysis, 2019, 10294 |
4514439 | CIF | C17 H25 N O | P 1 21/c 1 | 11.3195; 10.3547; 12.7097 90; 101.868; 90 | 1457.9 | Lorenc, Chris; Vibbert, Hunter B.; Yao, Chengbo; Norton, Jack R.; Rauch, Michael H· Transfer-Initiated Synthesis of γ-Lactams: Interpretation of Cycloisomerization and Hydrogenation Ratios ACS Catalysis, 2019, 10294 |
4514611 | CIF | C29 H33 B O4 Si | P 1 | 6.264; 9.621; 11.639 91.385; 96.47; 100.453 | 684.7 | Zhao, Zhi-Yuan; Nie, Yi-Xue; Tang, Ren-He; Yin, Guan-Wu; Cao, Jian; Xu, Zheng; Cui, Yu-Ming; Zheng, Zhan-Jiang; Xu, Li-Wen Enantioselective Rhodium-Catalyzed Desymmetric Hydrosilylation of Cyclopropenes ACS Catalysis, 2019, 9, 9110 |
4514612 | CIF | C72 H63 Ir N2 O6 P2 | P 21 21 21 | 15.155; 17.531; 22.268 90; 90; 90 | 5916.2 | Kim, Seung Wook; Meyer, Cole C.; Mai, Binh Khanh; Liu, Peng; Krische, Michael J. Inversion of Enantioselectivity in Allene Gas versus Allyl Acetate Reductive Aldehyde Allylation Guided by Metal-Centered Stereogenicity: An Experimental and Computational Study ACS Catalysis, 2019, 9, 9158 |
4514613 | CIF | C23 H29 B O3 | P 21 21 21 | 11.8365; 12.8133; 13.5157 90; 90; 90 | 2049.85 | Whyte, Andrew; Mirabi, Bijan; Torelli, Alexa; Prieto, Liher; Bajohr, Jonathan; Lautens, Mark Asymmetric Synthesis of Boryl-Functionalized Cyclobutanols ACS Catalysis, 2019, 9, 9253 |
4514614 | CIF | C14 H14 Br F2 N O | P -1 | 9.6165; 11.7307; 12.572 93.33; 100.541; 92.151 | 1390.3 | Chen, Yuanjin; Li, Liangkui; He, Xiao; Li, Zhiping Four-Component Reactions for the Synthesis of Perfluoroalkyl Isoxazoles ACS Catalysis, 2019, 9, 9098 |
4514615 | CIF | C20 H17 N3 O Pd | P 65 | 22.1057; 22.1057; 6.7305 90; 90; 120 | 2848.31 | Agasti, Soumitra; Mondal, Bhaskar; Achar, Tapas Kumar; Sinha, Soumya Kumar; Sarala Suseelan, Anjana; Szabo, Kalman J.; Schoenebeck, Franziska; Maiti, Debabrata Orthogonal Selectivity in C‒H Olefination: Synthesis of Branched Vinylarene with Unactivated Aliphatic Substitution ACS Catalysis, 2019, 9, 9606 |
4514616 | CIF | C23 N3 O Pd | P -1 | 9.6348; 10.7198; 11.5837 105.639; 103.125; 104.695 | 1056.88 | Agasti, Soumitra; Mondal, Bhaskar; Achar, Tapas Kumar; Sinha, Soumya Kumar; Sarala Suseelan, Anjana; Szabo, Kalman J.; Schoenebeck, Franziska; Maiti, Debabrata Orthogonal Selectivity in C‒H Olefination: Synthesis of Branched Vinylarene with Unactivated Aliphatic Substitution ACS Catalysis, 2019, 9, 9606 |
4514617 | CIF | C24 H25 N2 O2 | P -1 | 8.8691; 10.1304; 12.2386 105.617; 100.765; 93.916 | 1032.17 | Agasti, Soumitra; Mondal, Bhaskar; Achar, Tapas Kumar; Sinha, Soumya Kumar; Sarala Suseelan, Anjana; Szabo, Kalman J.; Schoenebeck, Franziska; Maiti, Debabrata Orthogonal Selectivity in C‒H Olefination: Synthesis of Branched Vinylarene with Unactivated Aliphatic Substitution ACS Catalysis, 2019, 9, 9606 |
4514618 | CIF | C20 H26 I N O2 S | P 1 21/c 1 | 12.2416; 20.4922; 7.9382 90; 91.862; 90 | 1990.3 | Nugent, Jeremy; Arroniz, Carlos; Shire, Bethany R.; Sterling, Alistair J.; Pickford, Helena D.; Wong, Marie L. J.; Mansfield, Steven J.; Caputo, Dimitri F. J.; Owen, Benjamin; Mousseau, James J.; Duarte, Fernanda; Anderson, Edward A. A General Route to Bicyclo[1.1.1]pentanes through Photoredox Catalysis ACS Catalysis, 2019, 9, 9568 |
4514619 | CIF | C24 H35 I O | P 21 21 21 | 6.30332; 11.85008; 28.71209 90; 90; 90 | 2144.65 | Nugent, Jeremy; Arroniz, Carlos; Shire, Bethany R.; Sterling, Alistair J.; Pickford, Helena D.; Wong, Marie L. J.; Mansfield, Steven J.; Caputo, Dimitri F. J.; Owen, Benjamin; Mousseau, James J.; Duarte, Fernanda; Anderson, Edward A. A General Route to Bicyclo[1.1.1]pentanes through Photoredox Catalysis ACS Catalysis, 2019, 9, 9568 |
4514620 | CIF | C21 H25 B O2 | P -1 | 10.2291; 13.3412; 13.527 87.464; 88.582; 80.599 | 1819.14 | Léonard, Nadia G.; Palmer, W. Neil; Friedfeld, Max R.; Bezdek, Máté J.; Chirik, Paul J. Remote, Diastereoselective Cobalt-Catalyzed Alkene Isomerization‒Hydroboration: Access to Stereodefined 1,3-Difunctionalized Indanes ACS Catalysis, 2019, 9, 9034 |
4514621 | CIF | C18 H16 N2 O3 | P 1 c 1 | 11.4615; 5.5002; 12.6887 90; 105.131; 90 | 772.17 | Yang, Hui; Wei, Guo; Jiang, Zhiyong Access to Isoxazolidines through Visible-Light-Induced Difunctionalization of Alkenes ACS Catalysis, 2019, 9, 9599 |
4514622 | CIF | C44 H57 F6 N5 O6 | I 1 2/a 1 | 17.95158; 10.14969; 23.05206 90; 98.418; 90 | 4154.9 | Zhang, Yunfei; Jermaks, Janis; MacMillan, Samantha N.; Lambert, Tristan H. Synthesis of 2H-Chromenes via Hydrazine-Catalyzed Ring-Closing Carbonyl-Olefin Metathesis ACS Catalysis, 2019, 9, 9259 |
4514623 | CIF | C28 H46 Cl2 F3 Ir O5 P2 S | P n m a | 15.492; 24.393; 18.535 90; 90; 90 | 7004 | Chu, Wan-Yi; Culakova, Zuzana; Wang, Bernie T.; Goldberg, Karen I. Acid-Assisted Hydrogenation of CO2 to Methanol in a Homogeneous Catalytic Cascade System ACS Catalysis, 2019, 9, 9317 |
4514624 | CIF | C44 H43 F3 O4 P4 Ru S | P b c a | 23.1713; 14.6301; 24.6604 90; 90; 90 | 8359.8 | Chu, Wan-Yi; Culakova, Zuzana; Wang, Bernie T.; Goldberg, Karen I. Acid-Assisted Hydrogenation of CO2 to Methanol in a Homogeneous Catalytic Cascade System ACS Catalysis, 2019, 9, 9317 |
4514625 | CIF | C46 H45 F6 N O6 P4 Ru S2 | P 1 21/c 1 | 17.445; 19.175; 28.449 90; 95.41; 90 | 9474 | Chu, Wan-Yi; Culakova, Zuzana; Wang, Bernie T.; Goldberg, Karen I. Acid-Assisted Hydrogenation of CO2 to Methanol in a Homogeneous Catalytic Cascade System ACS Catalysis, 2019, 9, 9317 |
4514626 | CIF | C27 H46 Cl2 F3 Ir O4 P2 S | P 1 21/n 1 | 16.5246; 12.6284; 17.54 90; 116.553; 90 | 3274.16 | Chu, Wan-Yi; Culakova, Zuzana; Wang, Bernie T.; Goldberg, Karen I. Acid-Assisted Hydrogenation of CO2 to Methanol in a Homogeneous Catalytic Cascade System ACS Catalysis, 2019, 9, 9317 |
4514627 | CIF | C15 H12 O2 S | C 1 2/c 1 | 20.5001; 9.8972; 14.0168 90; 114.293; 90 | 2592.1 | Liu, Can; Fang, Yi; Wang, Shun-Yi; Ji, Shun-Jun RhCl3·3H2O-Catalyzed Ligand-Enabled Highly Regioselective Thiolation of Acrylic Acids ACS Catalysis, 2019, 9, 8910 |
4514628 | CIF | C9 H6 F6 O9 S2 U | P -1 | 8.7768; 9.4553; 11.5011 75.998; 71.713; 79.448 | 873.34 | Monsigny, Louis; Thuéry, Pierre; Berthet, Jean-Claude; Cantat, Thibault Breaking C‒O Bonds with Uranium: Uranyl Complexes as Selective Catalysts in the Hydrosilylation of Aldehydes ACS Catalysis, 2019, 9, 9025 |
4514629 | CIF | C32 H24 F12 O20 S4 U2 | P -1 | 5.6883; 12.7612; 16.5764 102.634; 94.632; 96.374 | 1160.02 | Monsigny, Louis; Thuéry, Pierre; Berthet, Jean-Claude; Cantat, Thibault Breaking C‒O Bonds with Uranium: Uranyl Complexes as Selective Catalysts in the Hydrosilylation of Aldehydes ACS Catalysis, 2019, 9, 9025 |
4514630 | CIF | C29 H33 F6 N3 O11 S2 U | P 1 21/c 1 | 9.2981; 22.059; 18.3163 90; 102.709; 90 | 3664.8 | Monsigny, Louis; Thuéry, Pierre; Berthet, Jean-Claude; Cantat, Thibault Breaking C‒O Bonds with Uranium: Uranyl Complexes as Selective Catalysts in the Hydrosilylation of Aldehydes ACS Catalysis, 2019, 9, 9025 |
4514631 | CIF | C25 H22 F N O | P 21 21 21 | 6.9609; 9.0105; 32.0299 90; 90; 90 | 2008.95 | Ma, Teng; Chen, Yate; Li, Yuxiu; Ping, Yuanyuan; Kong, Wangqing Nickel-Catalyzed Enantioselective Reductive Aryl Fluoroalkenylation of Alkenes ACS Catalysis, 2019, 9, 9127 |
4514632 | CIF | C24 H43.5 O4.75 | P 1 21 1 | 12.5451; 25.5594; 15.6511 90; 110.747; 90 | 4693.02 | Nguyen, Vu T.; Nguyen, Viet D.; Haug, Graham C.; Dang, Hang T.; Jin, Shengfei; Li, Zhiliang; Flores-Hansen, Carsten; Benavides, Brenda S.; Arman, Hadi D.; Larionov, Oleg V. Alkene Synthesis by Photocatalytic Chemoenzymatically Compatible Dehydrodecarboxylation of Carboxylic Acids and Biomass ACS Catalysis, 2019, 9, 9485 |
4514633 | CIF | C15 H17 N3 O4 S | P 1 21/n 1 | 13.3181; 6.9639; 17.0635 90; 90.091; 90 | 1582.6 | Nguyen, Vu T.; Nguyen, Viet D.; Haug, Graham C.; Dang, Hang T.; Jin, Shengfei; Li, Zhiliang; Flores-Hansen, Carsten; Benavides, Brenda S.; Arman, Hadi D.; Larionov, Oleg V. Alkene Synthesis by Photocatalytic Chemoenzymatically Compatible Dehydrodecarboxylation of Carboxylic Acids and Biomass ACS Catalysis, 2019, 9, 9485 |
4514634 | CIF | C21 H17 N | C 1 2/c 1 | 18.1884; 10.5558; 25.3027 90; 108.216; 90 | 4614.5 | Nguyen, Vu T.; Nguyen, Viet D.; Haug, Graham C.; Dang, Hang T.; Jin, Shengfei; Li, Zhiliang; Flores-Hansen, Carsten; Benavides, Brenda S.; Arman, Hadi D.; Larionov, Oleg V. Alkene Synthesis by Photocatalytic Chemoenzymatically Compatible Dehydrodecarboxylation of Carboxylic Acids and Biomass ACS Catalysis, 2019, 9, 9485 |
4514635 | CIF | C22 H19 N | P 1 21/c 1 | 8.8592; 22.189; 8.984 90; 114.717; 90 | 1604.25 | Nguyen, Vu T.; Nguyen, Viet D.; Haug, Graham C.; Dang, Hang T.; Jin, Shengfei; Li, Zhiliang; Flores-Hansen, Carsten; Benavides, Brenda S.; Arman, Hadi D.; Larionov, Oleg V. Alkene Synthesis by Photocatalytic Chemoenzymatically Compatible Dehydrodecarboxylation of Carboxylic Acids and Biomass ACS Catalysis, 2019, 9, 9485 |
4514636 | CIF | C51 H57 Cl Ni O2 P2 | P 1 21/n 1 | 13.151; 15.965; 21.319 90; 91.921; 90 | 4474 | McGuire, Ryan T.; Paffile, Julia F. J.; Zhou, Yuqiao; Stradiotto, Mark Nickel-Catalyzed C‒N Cross-Coupling of Ammonia, (Hetero)anilines, and Indoles with Activated (Hetero)aryl Chlorides Enabled by Ligand Design ACS Catalysis, 2019, 9, 9292 |
4514637 | CIF | C159 H188 Cl4 N12 Rh4 | P 1 21/n 1 | 22.2298; 14.0027; 23.0551 90; 102.788; 90 | 6998.5 | Azpíroz, Ramón; Di Giuseppe, Andrea; Urriolabeitia, Asier; Passarelli, Vincenzo; Polo, Victor; Pérez-Torrente, Jesús J.; Oro, Luis A.; Castarlenas, Ricardo Hydride‒Rhodium(III)-N-Heterocyclic Carbene Catalyst for Tandem Alkylation/Alkenylation via C‒H Activation ACS Catalysis, 2019, 9, 9372 |
4514638 | CIF | C34 H36 Fe N O3 P S | P 1 21 1 | 11.5035; 10.7831; 13.3149 90; 110.777; 90 | 1544.22 | Han, Jie; Zhou, Wei; Zhang, Pei-Chao; Wang, Huamin; Zhang, Ronghua; Wu, Hai-Hong; Zhang, Junliang Design and Synthesis of WJ-Phos, and Application in Cu-Catalyzed Enantioselective Boroacylation of 1,1-Disubstituted Allenes ACS Catalysis, 2019, 9, 6890 |
4514639 | CIF | C24 H29 B O3 | P 21 21 21 | 8.8534; 12.6813; 18.9601 90; 90; 90 | 2128.7 | Han, Jie; Zhou, Wei; Zhang, Pei-Chao; Wang, Huamin; Zhang, Ronghua; Wu, Hai-Hong; Zhang, Junliang Design and Synthesis of WJ-Phos, and Application in Cu-Catalyzed Enantioselective Boroacylation of 1,1-Disubstituted Allenes ACS Catalysis, 2019, 9, 6890 |
4514640 | CIF | C38 H37 Cl3 Fe N O2 P S | P 1 21 1 | 10.5036; 11.7796; 15.6619 90; 106.748; 90 | 1855.62 | Han, Jie; Zhou, Wei; Zhang, Pei-Chao; Wang, Huamin; Zhang, Ronghua; Wu, Hai-Hong; Zhang, Junliang Design and Synthesis of WJ-Phos, and Application in Cu-Catalyzed Enantioselective Boroacylation of 1,1-Disubstituted Allenes ACS Catalysis, 2019, 9, 6890 |
4514641 | CIF | C50 H60 N4 O4 Rh2 | P 1 21/c 1 | 19.9451; 11.5613; 20.0794 90; 94.241; 90 | 4617.5 | Zhu, Weihao; Luo, Zhongwen; Chen, Junqi; Liu, Chang; Yang, Lu; Dickie, Diane A.; Liu, Naiming; Zhang, Sen; Davis, Robert J.; Gunnoe, T. Brent Mechanistic Studies of Single-Step Styrene Production Catalyzed by Rh Complexes with Diimine Ligands: An Evaluation of the Role of Ligands and Induction Period ACS Catalysis, 2019, 9, 7457 |
4514642 | CIF | C40 H26 F20 N4 O5 Rh2 | P 1 21/c 1 | 23.889; 9.9822; 19.624 90; 110.013; 90 | 4397.1 | Zhu, Weihao; Luo, Zhongwen; Chen, Junqi; Liu, Chang; Yang, Lu; Dickie, Diane A.; Liu, Naiming; Zhang, Sen; Davis, Robert J.; Gunnoe, T. Brent Mechanistic Studies of Single-Step Styrene Production Catalyzed by Rh Complexes with Diimine Ligands: An Evaluation of the Role of Ligands and Induction Period ACS Catalysis, 2019, 9, 7457 |
4514643 | CIF | C103 H224 Ni4 O32 Si8 | P 1 21/c 1 | 24.2076; 27.078; 21.532 90; 106.288; 90 | 13547.6 | Moroz, Ilia B.; Lund, Alicia; Kaushik, Monu; Severy, Laurent; Gajan, David; Fedorov, Alexey; Lesage, Anne; Copéret, Christophe Specific Localization of Aluminum Sites Favors Ethene-to-Propene Conversion on (Al)MCM-41-Supported Ni(II) Single Sites ACS Catalysis, 2019, 9, 7476 |
4514644 | CIF | C48 H60 Co Li N2 O | P m n 21 | 17.4715; 10.5472; 10.9763 90; 90; 90 | 2022.66 | Sandl, Sebastian; Maier, Thomas M.; van Leest, Nicolaas P.; Kröncke, Susanne; Chakraborty, Uttam; Demeshko, Serhiy; Koszinowski, Konrad; de Bruin, Bas; Meyer, Franc; Bodensteiner, Michael; Herrmann, Carmen; Wolf, Robert; Jacobi von Wangelin, Axel Cobalt-Catalyzed Hydrogenations via Olefin Cobaltate and Hydride Intermediates ACS Catalysis, 2019, 9, 7596 |
4514645 | CIF | C45 H53 Co N2 | P -1 | 12.3103; 12.6855; 13.5302 69.519; 77.844; 79.251 | 1920.22 | Sandl, Sebastian; Maier, Thomas M.; van Leest, Nicolaas P.; Kröncke, Susanne; Chakraborty, Uttam; Demeshko, Serhiy; Koszinowski, Konrad; de Bruin, Bas; Meyer, Franc; Bodensteiner, Michael; Herrmann, Carmen; Wolf, Robert; Jacobi von Wangelin, Axel Cobalt-Catalyzed Hydrogenations via Olefin Cobaltate and Hydride Intermediates ACS Catalysis, 2019, 9, 7596 |
4514646 | CIF | C36 H40 Br2 Co N2 | P 1 21/c 1 | 27.0266; 12.0329; 22.8033 90; 113.047; 90 | 6823.9 | Sandl, Sebastian; Maier, Thomas M.; van Leest, Nicolaas P.; Kröncke, Susanne; Chakraborty, Uttam; Demeshko, Serhiy; Koszinowski, Konrad; de Bruin, Bas; Meyer, Franc; Bodensteiner, Michael; Herrmann, Carmen; Wolf, Robert; Jacobi von Wangelin, Axel Cobalt-Catalyzed Hydrogenations via Olefin Cobaltate and Hydride Intermediates ACS Catalysis, 2019, 9, 7596 |
4514648 | CIF | C90 H121 Co2 Li N4 O4.5 | P b c a | 25.0102; 21.4146; 30.8908 90; 90; 90 | 16544.6 | Sandl, Sebastian; Maier, Thomas M.; van Leest, Nicolaas P.; Kröncke, Susanne; Chakraborty, Uttam; Demeshko, Serhiy; Koszinowski, Konrad; de Bruin, Bas; Meyer, Franc; Bodensteiner, Michael; Herrmann, Carmen; Wolf, Robert; Jacobi von Wangelin, Axel Cobalt-Catalyzed Hydrogenations via Olefin Cobaltate and Hydride Intermediates ACS Catalysis, 2019, 9, 7596 |
4514649 | CIF | C92 H123 Co2 Li N4 O5 | P 1 21/n 1 | 21.4917; 13.0279; 29.987 90; 101.086; 90 | 8239.4 | Sandl, Sebastian; Maier, Thomas M.; van Leest, Nicolaas P.; Kröncke, Susanne; Chakraborty, Uttam; Demeshko, Serhiy; Koszinowski, Konrad; de Bruin, Bas; Meyer, Franc; Bodensteiner, Michael; Herrmann, Carmen; Wolf, Robert; Jacobi von Wangelin, Axel Cobalt-Catalyzed Hydrogenations via Olefin Cobaltate and Hydride Intermediates ACS Catalysis, 2019, 9, 7596 |
4514650 | CIF | C48 H44 B Br N2 P4 | P -1 | 10.551; 12.062; 18.905 82.63; 81.72; 66.18 | 2171.5 | Bäcker, Andreas; Li, Yinwu; Fritz, Maximilian; Grätz, Maik; Ke, Zhuofeng; Langer, Robert Redox-Active, Boron-Based Ligands in Iron Complexes with Inverted Hydride Reactivity in Dehydrogenation Catalysis ACS Catalysis, 2019, 9, 7300 |
4514651 | CIF | C54.5 H51 B Br Cl5 Fe O2 P4 | P -1 | 11.496; 12.374; 20.858 97.02; 94.81; 111.71 | 2709 | Bäcker, Andreas; Li, Yinwu; Fritz, Maximilian; Grätz, Maik; Ke, Zhuofeng; Langer, Robert Redox-Active, Boron-Based Ligands in Iron Complexes with Inverted Hydride Reactivity in Dehydrogenation Catalysis ACS Catalysis, 2019, 9, 7300 |
4514652 | CIF | C18 H44 B Br Fe N2 O2 P4 | P 1 21/c 1 | 12.7253; 10.5434; 21.3482 90; 102.389; 90 | 2797.5 | Bäcker, Andreas; Li, Yinwu; Fritz, Maximilian; Grätz, Maik; Ke, Zhuofeng; Langer, Robert Redox-Active, Boron-Based Ligands in Iron Complexes with Inverted Hydride Reactivity in Dehydrogenation Catalysis ACS Catalysis, 2019, 9, 7300 |
4514653 | CIF | C19 H43 B Br Fe N2 O3 P4 | P n a 21 | 14.623; 15.131; 12.874 90; 90; 90 | 2848.5 | Bäcker, Andreas; Li, Yinwu; Fritz, Maximilian; Grätz, Maik; Ke, Zhuofeng; Langer, Robert Redox-Active, Boron-Based Ligands in Iron Complexes with Inverted Hydride Reactivity in Dehydrogenation Catalysis ACS Catalysis, 2019, 9, 7300 |
4514654 | CIF | C18 H21 N O5 S | P 1 21/n 1 | 9.7666; 7.7835; 22.574 90; 94.062; 90 | 1711.73 | Zhou, Kehan; Zhu, Yan; Fan, Weitai; Chen, Yujie; Xu, Xu; Zhang, Jingyu; Zhao, Yingsheng Late-Stage Functionalization of Aromatic Acids with Aliphatic Aziridines: Direct Approach to Form β-Branched Arylethylamine Backbones ACS Catalysis, 2019, 9, 6738 |
4514655 | CIF | C18 H23 N O6 S | P 1 21 1 | 8.1162; 11.0214; 10.5496 90; 91.17; 90 | 943.48 | Zhou, Kehan; Zhu, Yan; Fan, Weitai; Chen, Yujie; Xu, Xu; Zhang, Jingyu; Zhao, Yingsheng Late-Stage Functionalization of Aromatic Acids with Aliphatic Aziridines: Direct Approach to Form β-Branched Arylethylamine Backbones ACS Catalysis, 2019, 9, 6738 |
4514656 | CIF | C27 H48 Cl N2 P Ru | P 41 | 13.2477; 13.2477; 32.623 90; 90; 90 | 5725.4 | Paulson, Erik R.; Moore, Curtis E.; Rheingold, Arnold L.; Pullman, David P.; Sindewald, Ryan W.; Cooksy, Andrew L.; Grotjahn, Douglas B. Dynamic π-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp*Ru(κ2-P,N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes ACS Catalysis, 2019, 9, 7217 |
4514657 | CIF | C24 H39 F9 N2 P2 Ru | P 1 21/c 1 | 22.5581; 12.7798; 22.1335 90; 113.18; 90 | 5865.7 | Paulson, Erik R.; Moore, Curtis E.; Rheingold, Arnold L.; Pullman, David P.; Sindewald, Ryan W.; Cooksy, Andrew L.; Grotjahn, Douglas B. Dynamic π-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp*Ru(κ2-P,N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes ACS Catalysis, 2019, 9, 7217 |
4514658 | CIF | C40 H48 Cl4 F12 Ru4 | P -1 | 11.6853; 20.7278; 21.1082 114.576; 96.847; 99.355 | 4487.1 | Paulson, Erik R.; Moore, Curtis E.; Rheingold, Arnold L.; Pullman, David P.; Sindewald, Ryan W.; Cooksy, Andrew L.; Grotjahn, Douglas B. Dynamic π-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp*Ru(κ2-P,N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes ACS Catalysis, 2019, 9, 7217 |
4514659 | CIF | C20 H34 Cl N2 P Ru | P 1 21/c 1 | 13.3641; 15.0206; 10.9602 90; 93.975; 90 | 2194.82 | Paulson, Erik R.; Moore, Curtis E.; Rheingold, Arnold L.; Pullman, David P.; Sindewald, Ryan W.; Cooksy, Andrew L.; Grotjahn, Douglas B. Dynamic π-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp*Ru(κ2-P,N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes ACS Catalysis, 2019, 9, 7217 |
4514660 | CIF | C24 H42 F6 N2 P2 Ru | P n a 21 | 22.7385; 13.1551; 9.5634 90; 90; 90 | 2860.67 | Paulson, Erik R.; Moore, Curtis E.; Rheingold, Arnold L.; Pullman, David P.; Sindewald, Ryan W.; Cooksy, Andrew L.; Grotjahn, Douglas B. Dynamic π-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp*Ru(κ2-P,N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes ACS Catalysis, 2019, 9, 7217 |
4514661 | CIF | C20 H31 Cl F3 N2 P Ru | P 1 21/c 1 | 13.915; 14.954; 10.922 90; 95.212; 90 | 2263.3 | Paulson, Erik R.; Moore, Curtis E.; Rheingold, Arnold L.; Pullman, David P.; Sindewald, Ryan W.; Cooksy, Andrew L.; Grotjahn, Douglas B. Dynamic π-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp*Ru(κ2-P,N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes ACS Catalysis, 2019, 9, 7217 |
4514662 | CIF | C24.5 H0.5 Cl1.5 N2 O2 S3 | P 1 | 5.7084; 14.6112; 15.7856 72.801; 87.877; 87.344 | 1256.02 | Liang, Yaoyu; Zhao, Xiaodan Enantioselective Construction of Chiral Sulfides via Catalytic Electrophilic Azidothiolation and Oxythiolation of N-Allyl Sulfonamides ACS Catalysis, 2019, 9, 6896 |
4514663 | CIF | C19 H32 Fe N5 O7 S2 | P 1 21/c 1 | 11.986; 9.3819; 21.7658 90; 90; 90 | 2447.6 | Warner, Genoa R.; Somasundar, Yogesh; Jansen, Kyle C.; Kaaret, Evan Z.; Weng, Cindy; Burton, Abigail E.; Mills, Matthew R.; Shen, Longzhu Q.; Ryabov, Alexander D.; Pros, Gabrielle; Pintauer, Tomislav; Biswas, Saborni; Hendrich, Michael P.; Taylor, Julia A.; Vom Saal, Frederick S.; Collins, Terrence J. Bioinspired, Multidisciplinary, Iterative Catalyst Design Creates the Highest Performance Peroxidase Mimics and the Field of Sustainable Ultradilute Oxidation Catalysis (SUDOC) ACS Catalysis, 2019, 9, 7023 |
4514664 | CIF | C20 H21 N | P 1 21/c 1 | 10.3039; 11.9306; 12.985 90; 90.816; 90 | 1596.1 | Ping, Yuanyuan; Wang, Kuai; Pan, Qi; Ding, Zhengtian; Zhou, Zhijun; Guo, Ya; Kong, Wangqing Ni-Catalyzed Regio- and Enantioselective Domino Reductive Cyclization: One-Pot Synthesis of 2,3-Fused Cyclopentannulated Indolines ACS Catalysis, 2019, 9, 7335 |
4514665 | CIF | C20 H21 N | P 1 21/c 1 | 10.2763; 11.8965; 12.9403 90; 90.785; 90 | 1581.83 | Ping, Yuanyuan; Wang, Kuai; Pan, Qi; Ding, Zhengtian; Zhou, Zhijun; Guo, Ya; Kong, Wangqing Ni-Catalyzed Regio- and Enantioselective Domino Reductive Cyclization: One-Pot Synthesis of 2,3-Fused Cyclopentannulated Indolines ACS Catalysis, 2019, 9, 7335 |
4514666 | CIF | C108 H92 Cl12 N8 O4 | C 1 c 1 | 16.9269; 16.7619; 8.8583 90; 91.738; 90 | 2512.18 | Ping, Yuanyuan; Wang, Kuai; Pan, Qi; Ding, Zhengtian; Zhou, Zhijun; Guo, Ya; Kong, Wangqing Ni-Catalyzed Regio- and Enantioselective Domino Reductive Cyclization: One-Pot Synthesis of 2,3-Fused Cyclopentannulated Indolines ACS Catalysis, 2019, 9, 7335 |
4514667 | CIF | C18 H14 Br F3 N2 O3 | P 1 21 1 | 9.89; 9.938; 18.564 90; 101.954; 90 | 1785 | Ibáñez, Ignacio; Kaneko, Mio; Kamei, Yuto; Tsutsumi, Ryosuke; Yamanaka, Masahiro; Akiyama, Takahiko Enantioselective Friedel‒Crafts Alkylation Reaction of Indoles with α-Trifluoromethylated β-Nitrostyrenes Catalyzed by Chiral BINOL Metal Phosphate ACS Catalysis, 2019, 9, 6903 |
4514668 | CIF | C38 H27 Br3 N2 O3 | P 21 21 21 | 6.8271; 16.06; 29.396 90; 90; 90 | 3223.1 | Ibáñez, Ignacio; Kaneko, Mio; Kamei, Yuto; Tsutsumi, Ryosuke; Yamanaka, Masahiro; Akiyama, Takahiko Enantioselective Friedel‒Crafts Alkylation Reaction of Indoles with α-Trifluoromethylated β-Nitrostyrenes Catalyzed by Chiral BINOL Metal Phosphate ACS Catalysis, 2019, 9, 6903 |
4514669 | CIF | C25 H25 Br N2 O2 S | P 41 | 9.7248; 9.7248; 48.32 90; 90; 90 | 4569.7 | Ibáñez, Ignacio; Kaneko, Mio; Kamei, Yuto; Tsutsumi, Ryosuke; Yamanaka, Masahiro; Akiyama, Takahiko Enantioselective Friedel‒Crafts Alkylation Reaction of Indoles with α-Trifluoromethylated β-Nitrostyrenes Catalyzed by Chiral BINOL Metal Phosphate ACS Catalysis, 2019, 9, 6903 |
4514670 | CIF | C22 H20 O2 | C 1 2/c 1 | 15.8408; 13.142; 16.3982 90; 98.987; 90 | 3371.9 | Giri, Sovan Sundar; Liu, Rai-Shung Copper-Catalyzed [4+2]-Cycloadditions of Isoxazoles with 2-Alkynylbenzaldehydes To Access Distinct α-Carbonylnaphthalene Derivatives: C(3,4)- versus C(4,5)-Regioselectivity at Isoxazoles ACS Catalysis, 2019, 9, 7328 |
4514671 | CIF | C25 H19 N O2 | P 1 21/c 1 | 15.6269; 10.8792; 22.0724 90; 100.839; 90 | 3685.5 | Giri, Sovan Sundar; Liu, Rai-Shung Copper-Catalyzed [4+2]-Cycloadditions of Isoxazoles with 2-Alkynylbenzaldehydes To Access Distinct α-Carbonylnaphthalene Derivatives: C(3,4)- versus C(4,5)-Regioselectivity at Isoxazoles ACS Catalysis, 2019, 9, 7328 |
4514672 | CIF | C18 H11 N O | P 1 21/c 1 | 8.2853; 31.984; 19.542 90; 93.546; 90 | 5168.7 | Giri, Sovan Sundar; Liu, Rai-Shung Copper-Catalyzed [4+2]-Cycloadditions of Isoxazoles with 2-Alkynylbenzaldehydes To Access Distinct α-Carbonylnaphthalene Derivatives: C(3,4)- versus C(4,5)-Regioselectivity at Isoxazoles ACS Catalysis, 2019, 9, 7328 |
4514673 | CIF | C22 H14 N4 | P 1 21/c 1 | 9.9466; 17.8664; 9.4521 90; 100.253; 90 | 1652.91 | Giri, Sovan Sundar; Liu, Rai-Shung Copper-Catalyzed [4+2]-Cycloadditions of Isoxazoles with 2-Alkynylbenzaldehydes To Access Distinct α-Carbonylnaphthalene Derivatives: C(3,4)- versus C(4,5)-Regioselectivity at Isoxazoles ACS Catalysis, 2019, 9, 7328 |
4514674 | CIF | C19 H13 N O | P -1 | 7.861; 9.282; 9.934 83.675; 72.702; 85.815 | 687.2 | Giri, Sovan Sundar; Liu, Rai-Shung Copper-Catalyzed [4+2]-Cycloadditions of Isoxazoles with 2-Alkynylbenzaldehydes To Access Distinct α-Carbonylnaphthalene Derivatives: C(3,4)- versus C(4,5)-Regioselectivity at Isoxazoles ACS Catalysis, 2019, 9, 7328 |
4514675 | CIF | C30 H22 O3 | P 1 21/c 1 | 24.6109; 12.239; 14.7299 90; 98.22; 90 | 4391.3 | Giri, Sovan Sundar; Liu, Rai-Shung Copper-Catalyzed [4+2]-Cycloadditions of Isoxazoles with 2-Alkynylbenzaldehydes To Access Distinct α-Carbonylnaphthalene Derivatives: C(3,4)- versus C(4,5)-Regioselectivity at Isoxazoles ACS Catalysis, 2019, 9, 7328 |
4514676 | CIF | C54 H55 B F4 N3 O5 P2 Rh | P -1 | 14.1394; 15.0162; 28.9031 77.688; 87.174; 78.469 | 5874.4 | Daubignard, Julien; Lutz, Martin; Detz, Remko J.; de Bruin, Bas; Reek, Joost N. H. Origin of the Selectivity and Activity in the Rhodium-Catalyzed Asymmetric Hydrogenation Using Supramolecular Ligands ACS Catalysis, 2019, 9, 7535 |
4514677 | CIF | C50 H49 B F4 N5 O5 P2 Rh | P -1 | 12.6207; 13.6039; 15.2008 72.598; 83.301; 76.784 | 2421.15 | Daubignard, Julien; Lutz, Martin; Detz, Remko J.; de Bruin, Bas; Reek, Joost N. H. Origin of the Selectivity and Activity in the Rhodium-Catalyzed Asymmetric Hydrogenation Using Supramolecular Ligands ACS Catalysis, 2019, 9, 7535 |
4514678 | CIF | C92 H86 B2 F8 N6 O10 P4 Rh2 | P 1 21/n 1 | 14.1446; 25.4077; 15.6384 90; 94.839; 90 | 5600.1 | Daubignard, Julien; Lutz, Martin; Detz, Remko J.; de Bruin, Bas; Reek, Joost N. H. Origin of the Selectivity and Activity in the Rhodium-Catalyzed Asymmetric Hydrogenation Using Supramolecular Ligands ACS Catalysis, 2019, 9, 7535 |
4514679 | CIF | C17 H21 B Br N O2 | P 1 21 1 | 11.3502; 7.45; 20.6376 90; 91.376; 90 | 1744.59 | Jia, Tao; Smith, Marshall J.; Pulis, Alexander P.; Perry, Gregory J. P.; Procter, David J. Enantioselective and Regioselective Copper-Catalyzed Borocyanation of 1-Aryl-1,3-Butadienes ACS Catalysis, 2019, 9, 6744 |
4514680 | CIF | C20 H16 Br N O2 | P 1 21 1 | 14.62776; 8.05742; 15.00218 90; 97.0979; 90 | 1754.64 | Jia, Tao; Smith, Marshall J.; Pulis, Alexander P.; Perry, Gregory J. P.; Procter, David J. Enantioselective and Regioselective Copper-Catalyzed Borocyanation of 1-Aryl-1,3-Butadienes ACS Catalysis, 2019, 9, 6744 |
4514681 | CIF | C11 H10 I0.96 N O | P 1 21 1 | 9.8268; 5.6439; 9.8652 90; 99.353; 90 | 539.86 | Jia, Tao; Smith, Marshall J.; Pulis, Alexander P.; Perry, Gregory J. P.; Procter, David J. Enantioselective and Regioselective Copper-Catalyzed Borocyanation of 1-Aryl-1,3-Butadienes ACS Catalysis, 2019, 9, 6744 |
4514682 | CIF | C14 H24 N2 O4 Pd | P 1 21/c 1 | 9.3121; 10.7025; 8.4772 90; 97.201; 90 | 838.2 | Feng, Wenhui; Wang, Tianyang; Liu, Dongzhi; Wang, Xiaotai; Dang, Yanfeng Mechanism of the Palladium-Catalyzed C(sp3)‒H Arylation of Aliphatic Amines: Unraveling the Crucial Role of Silver(I) Additives ACS Catalysis, 2019, 9, 6672 |
4514683 | CIF | C42 H35 F12 N11 P2 Pd2 | P -1 | 12.0088; 12.3492; 17.137 101.431; 106.142; 105.372 | 2250.17 | Zhu, Jiancheng; Lindsay, Vincent N. G. Benzimidazolyl Palladium Complexes as Highly Active and General Bifunctional Catalysts in Sustainable Cross-Coupling Reactions ACS Catalysis, 2019, 9, 6993 |
4514684 | CIF | C25 H20 Cl F6 N4 O P Pd | P -1 | 8.7896; 12.4079; 13.433 108.517; 105.407; 103.424 | 1256.4 | Zhu, Jiancheng; Lindsay, Vincent N. G. Benzimidazolyl Palladium Complexes as Highly Active and General Bifunctional Catalysts in Sustainable Cross-Coupling Reactions ACS Catalysis, 2019, 9, 6993 |
4514685 | CIF | C45 H48 F12 N8 O3 P2 Pd2 | C 1 2/c 1 | 25.202; 8.3844; 24.157 90; 108.454; 90 | 4842 | Zhu, Jiancheng; Lindsay, Vincent N. G. Benzimidazolyl Palladium Complexes as Highly Active and General Bifunctional Catalysts in Sustainable Cross-Coupling Reactions ACS Catalysis, 2019, 9, 6993 |
4514686 | CIF | C12 H11 Br F3 N3 O2 | P 1 21/c 1 | 10.3636; 10.0648; 28.9197 90; 99.7; 90 | 2973.4 | Chen, Zhen; Ren, Nan; Ma, Xiaoxiao; Nie, Jing; Zhang, Fa-Guang; Ma, Jun-An Silver-Catalyzed [3 + 3] Dipolar Cycloaddition of Trifluorodiazoethane and Glycine Imines: Access to Highly Functionalized Trifluoromethyl-Substituted Triazines and Pyridines ACS Catalysis, 2019, 9, 4600 |
4514687 | CIF | C15 H11 Cl F3 N O2 | P 1 21/n 1 | 17.29; 4.519; 20.77 90; 111.24; 90 | 1513 | Chen, Zhen; Ren, Nan; Ma, Xiaoxiao; Nie, Jing; Zhang, Fa-Guang; Ma, Jun-An Silver-Catalyzed [3 + 3] Dipolar Cycloaddition of Trifluorodiazoethane and Glycine Imines: Access to Highly Functionalized Trifluoromethyl-Substituted Triazines and Pyridines ACS Catalysis, 2019, 9, 4600 |
4514688 | CIF | C34 H26 N2 | P 1 21/n 1 | 11.5593; 7.8828; 27.35 90; 98.043; 90 | 2467.6 | Noto, Naoki; Koike, Takashi; Akita, Munetaka Visible-Light-Triggered Monofluoromethylation of Alkenes by Strongly Reducing 1,4-Bis(diphenylamino)naphthalene Photoredox Catalysis ACS Catalysis, 2019, 9, 4382 |
4514689 | CIF | C21 H20 F3 N O5 S | P 1 | 9.0328; 9.506; 13.9771 90.165; 95.249; 115.51 | 1077.42 | He, Xiao-Long; Zhao, Hui-Ru; Song, Xue; Jiang, Bo; Du, Wei; Chen, Ying-Chun Asymmetric Barton‒Zard Reaction To Access 3-Pyrrole-Containing Axially Chiral Skeletons ACS Catalysis, 2019, 9, 4374 |
4514690 | CIF | C24 H25 N3 O4 | P 21 21 21 | 9.2464; 10.0773; 23.4808 90; 90; 90 | 2187.91 | He, Xiao-Long; Zhao, Hui-Ru; Song, Xue; Jiang, Bo; Du, Wei; Chen, Ying-Chun Asymmetric Barton‒Zard Reaction To Access 3-Pyrrole-Containing Axially Chiral Skeletons ACS Catalysis, 2019, 9, 4374 |
4514691 | CIF | C25 H17 N O | P 1 21/n 1 | 8.618; 11.775; 18.166 90; 103.293; 90 | 1794 | Yuan, Hairui; Guo, Lirong; Liu, Fengting; Miao, Zechen; Feng, Lei; Gao, Hongyin Copper-Catalyzed Tandem O-Vinylation of Arylhydroxylamines/[3,3]-Rearrangement/Cyclization: Synthesis of Highly Substituted Indoles and Benzoindoles ACS Catalysis, 2019, 9, 3906 |
4514692 | CIF | C31 H21 N O | P 21 21 21 | 8.1125; 12.1517; 23.1044 90; 90; 90 | 2277.65 | Yuan, Hairui; Guo, Lirong; Liu, Fengting; Miao, Zechen; Feng, Lei; Gao, Hongyin Copper-Catalyzed Tandem O-Vinylation of Arylhydroxylamines/[3,3]-Rearrangement/Cyclization: Synthesis of Highly Substituted Indoles and Benzoindoles ACS Catalysis, 2019, 9, 3906 |
4514693 | CIF | C24 H46 N6 Ni O6 | P 21 21 21 | 8.7123; 16.0813; 20.4271 90; 90; 90 | 2861.9 | Garrido-Barros, Pablo; Grau, Sergi; Drouet, Samuel; Benet-Buchholz, Jordi; Gimbert-Suriñach, Carolina; Llobet, Antoni Can Ni Complexes Behave as Molecular Water Oxidation Catalysts? ACS Catalysis, 2019, 9, 3936 |
4514694 | CIF | C21 H44 N6 Ni O9 | C 1 2/c 1 | 55.552; 6.2616; 15.8906 90; 100.323; 90 | 5438 | Garrido-Barros, Pablo; Grau, Sergi; Drouet, Samuel; Benet-Buchholz, Jordi; Gimbert-Suriñach, Carolina; Llobet, Antoni Can Ni Complexes Behave as Molecular Water Oxidation Catalysts? ACS Catalysis, 2019, 9, 3936 |
4514695 | CIF | C26 H29 N O | P 1 21/c 1 | 6.2208; 18.757; 17.484 90; 93.268; 90 | 2036.8 | Han, Chunhua; Fu, Zhiyuan; Guo, Songjin; Fang, Xinxin; Lin, Aijun; Yao, Hequan Palladium-Catalyzed Remote 1,n-Arylamination of Unactivated Terminal Alkenes ACS Catalysis, 2019, 9, 4196 |
4514696 | CIF | C58 H84 F7 N2 O4 P Pd S | P 1 21/c 1 | 20.138; 13.1828; 24.998 90; 106.912; 90 | 6349.4 | Dennis, Joseph M.; White, Nicholas A.; Liu, Richard Y.; Buchwald, Stephen L. Pd-Catalyzed C‒N Coupling Reactions Facilitated by Organic Bases: Mechanistic Investigation Leads to Enhanced Reactivity in the Arylation of Weakly Binding Amines ACS Catalysis, 2019, 9, 3822 |
4514697 | CIF | C43 H73.5 P2 Ru S | P -1 | 13.159; 15.396; 21.596 90.092; 92.283; 101.727 | 4280.3 | Zhou, Xiaoguang; Malakar, Santanu; Zhou, Tian; Murugesan, Sathiyamoorthy; Huang, Carlos; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S. Catalytic Alkane Transfer Dehydrogenation by PSP-Pincer-Ligated Ruthenium. Deactivation of an Extremely Reactive Fragment by Formation of Allyl Hydride Complexes ACS Catalysis, 2019, 9, 4072 |
4514698 | CIF | C38 H62 P2 Ru S | P 1 21/c 1 | 13.2907; 15.6689; 18.8836 90; 105.176; 90 | 3795.4 | Zhou, Xiaoguang; Malakar, Santanu; Zhou, Tian; Murugesan, Sathiyamoorthy; Huang, Carlos; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S. Catalytic Alkane Transfer Dehydrogenation by PSP-Pincer-Ligated Ruthenium. Deactivation of an Extremely Reactive Fragment by Formation of Allyl Hydride Complexes ACS Catalysis, 2019, 9, 4072 |
4514699 | CIF | C30 H41 Br1.02 Fe P3 | P -1 | 9.4966; 9.593; 17.63 101.894; 96.481; 102.236 | 1515.2 | Schild, Dirk J.; Peters, Jonas C. Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation. ACS catalysis, 2019, 9, 4286-4295 |
4514700 | CIF | C30 H41 Fe N4 P3 | P 1 21/c 1 | 17.626; 10.7764; 16.1774 90; 98.63; 90 | 3038 | Schild, Dirk J.; Peters, Jonas C. Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation. ACS catalysis, 2019, 9, 4286-4295 |
4514701 | CIF | C129 H106 B2 F48 Fe2 N8 P6 | P 1 21/n 1 | 22.4451; 12.1053; 25.482 90; 101.904; 90 | 6774.7 | Schild, Dirk J.; Peters, Jonas C. Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation. ACS catalysis, 2019, 9, 4286-4295 |
4514702 | CIF | C42 H65 Fe K N2 O6 P3 | P 1 21/n 1 | 10.4864; 23.9154; 17.8619 90; 93.645; 90 | 4470.5 | Schild, Dirk J.; Peters, Jonas C. Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation. ACS catalysis, 2019, 9, 4286-4295 |
4514703 | CIF | C40 H61 Fe K N2 O4 P3 | P n m a | 25.9569; 17.0296; 12.1851 90; 90; 90 | 5386.2 | Schild, Dirk J.; Peters, Jonas C. Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation. ACS catalysis, 2019, 9, 4286-4295 |
4514704 | CIF | C84 H130 Fe2 K4 N4 O6 P6 | P 1 21/n 1 | 14.6713; 16.6256; 18.7129 90; 102.506; 90 | 4456.1 | Schild, Dirk J.; Peters, Jonas C. Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation. ACS catalysis, 2019, 9, 4286-4295 |
4514705 | CIF | C33 H50 Fe K N2 P3 Si | P 21 21 21 | 10.5863; 16.3326; 20.8095 90; 90; 90 | 3598 | Schild, Dirk J.; Peters, Jonas C. Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation. ACS catalysis, 2019, 9, 4286-4295 |
4514706 | CIF | C28 H26 N4 O2 Pd | P 1 21/n 1 | 8.3908; 20.0893; 14.6398 90; 100.46; 90 | 2426.75 | Luo, Yun-Cheng; Yang, Chao; Qiu, Sheng-Qi; Liang, Qiu-Ju; Xu, Yun-He; Loh, Teck-Peng Palladium(II)-Catalyzed Stereospecific Alkenyl C‒H Bond Alkylation of Allylamines with Alkyl Iodides ACS Catalysis, 2019, 9, 4271 |
4514707 | CIF | C26 H28 Cl2 Co N4 O | P 21 21 21 | 9.5625; 11.3203; 24.4937 90; 90; 90 | 2651.5 | Chen, Xu; Cheng, Zhaoyang; Lu, Zhan Cobalt-Catalyzed Asymmetric Markovnikov Hydroboration of Styrenes ACS Catalysis, 2019, 9, 4025 |
4514708 | CIF | C63 H73 Ni2 O3 P2 | P -1 | 10.2617; 16.0861; 17.7316 100.697; 90.004; 105.821 | 2763.17 | Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes ACS Catalysis, 2019, 9, 3849 |
4514709 | CIF | C32 H37 Ni O2 P S | P -1 | 8.6245; 9.0612; 20.838 84.848; 88.901; 62.929 | 1443.8 | Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes ACS Catalysis, 2019, 9, 3849 |
4514710 | CIF | C34 H42 B Ni O3 P | P 1 21/c 1 | 22.1829; 9.2102; 15.4936 90; 94.271; 90 | 3156.7 | Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes ACS Catalysis, 2019, 9, 3849 |
4514711 | CIF | C36 H44 B Ni O P | P 1 21/n 1 | 8.8285; 20.3843; 17.3286 90; 95.23; 90 | 3105.5 | Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes ACS Catalysis, 2019, 9, 3849 |
4514712 | CIF | C28 H31 Ni P | P -1 | 8.8889; 15.1597; 17.8889 91.217; 96.831; 90.693 | 2392.67 | Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes ACS Catalysis, 2019, 9, 3849 |
4514713 | CIF | C28 H30 Br Ni P | P n a 21 | 16.7529; 10.1199; 14.6061 90; 90; 90 | 2476.28 | Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes ACS Catalysis, 2019, 9, 3849 |
4514714 | CIF | C21 H31 B2 N O4 | P 1 21/c 1 | 15.588; 10.6978; 14.1186 90; 107.935; 90 | 2239.97 | Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes ACS Catalysis, 2019, 9, 3849 |
4514715 | CIF | C23 H21 Br N2 O3 | P 32 | 9.5332; 9.5332; 19.5349 90; 90; 120 | 1537.51 | Das, Tamal Kanti; Ghosh, Avik; Balanna, Kuruva; Behera, Pradipta; Gonnade, Rajesh G.; Marelli, Udaya Kiran; Das, Abhijit Kumar; Biju, Akkattu T. N-Heterocyclic Carbene-Catalyzed Umpolung of Imines for the Enantioselective Synthesis of Dihydroquinoxalines ACS Catalysis, 2019, 9, 4065 |
4514716 | CIF | C14 H11 N O2 S2 | P 1 21/n 1 | 8.3903; 17.9634; 9.3448 90; 112.656; 90 | 1299.75 | Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V. Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis ACS Catalysis, 2019, 9, 4015 |
4514717 | CIF | C18 H10 Br2 N2 O2 S | I 1 2/a 1 | 17.7962; 4.9199; 19.1526 90; 105.417; 90 | 1616.57 | Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V. Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis ACS Catalysis, 2019, 9, 4015 |
4514718 | CIF | C12 H11 N O2 S | P 1 21/c 1 | 14.2892; 10.414; 7.4904 90; 103.95; 90 | 1081.76 | Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V. Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis ACS Catalysis, 2019, 9, 4015 |
4514719 | CIF | C18 H10 Cl2 N2 S | I 1 2/c 1 | 18.9763; 13.5616; 24.1428 90; 95.348; 90 | 6186.1 | Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V. Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis ACS Catalysis, 2019, 9, 4015 |
4514720 | CIF | C10 H8 Cl N O2 S | P 1 21/c 1 | 14.4698; 5.8318; 11.9918 90; 103.449; 90 | 984.18 | Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V. Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis ACS Catalysis, 2019, 9, 4015 |
4514721 | CIF | C17 H15 Cl N2 O4 S | P 1 21/n 1 | 10.7209; 11.7327; 13.2944 90; 97.17; 90 | 1659.16 | Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V. Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis ACS Catalysis, 2019, 9, 4015 |
4514722 | CIF | C16 H13 N O2 S | P 1 21/c 1 | 8.3782; 8.266; 20.0756 90; 97; 90 | 1379.96 | Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V. Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis ACS Catalysis, 2019, 9, 4015 |
4514723 | CIF | C18 H10 Cl2 N2 O2 S | P 1 21/c 1 | 12.9582; 9.0843; 14.2001 90; 108.155; 90 | 1588.37 | Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V. Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis ACS Catalysis, 2019, 9, 4015 |
4514724 | CIF | C14 H13 N O2 S | P 21 21 21 | 8.9497; 9.3068; 15.389 90; 90; 90 | 1281.8 | Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V. Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis ACS Catalysis, 2019, 9, 4015 |
4514725 | CIF | C16 H12 Cl N O2 S | P 1 21/c 1 | 8.2088; 24.9454; 6.8433 90; 94.558; 90 | 1396.88 | Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V. Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis ACS Catalysis, 2019, 9, 4015 |
4514726 | CIF | C18 H12 N2 O2 S | P -1 | 7.6361; 13.7285; 14.864 69.516; 85.244; 83.871 | 1449.62 | Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V. Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis ACS Catalysis, 2019, 9, 4015 |
4514727 | CIF | C17 H14 F N O4 S | P -1 | 7.5118; 8.3229; 12.1237 84.045; 88.396; 77.487 | 735.96 | Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V. Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis ACS Catalysis, 2019, 9, 4015 |
4514728 | CIF | C22 H24 N2 O6 S | P -1 | 7.8092; 9.7669; 14.5366 104.686; 101.315; 100.756 | 1018.49 | Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V. Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis ACS Catalysis, 2019, 9, 4015 |
4514729 | CIF | C22 H22 Cl N O2 S | C 1 2/c 1 | 15.7798; 11.6418; 22.199 90; 106.677; 90 | 3906.54 | Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V. Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis ACS Catalysis, 2019, 9, 4015 |
4514730 | CIF | C18 H20 I2 N4 Pd | P 1 21/c 1 | 8.3065; 16.337; 7.6187 90; 99.14; 90 | 1020.8 | Chernyshev, Victor M.; Astakhov, Alexander V.; Chikunov, Ilya E.; Tyurin, Roman V.; Eremin, Dmitry B.; Ranny, Gleb S.; Khrustalev, Victor N.; Ananikov, Valentine P. Pd and Pt Catalyst Poisoning in the Study of Reaction Mechanisms: What Does the Mercury Test Mean for Catalysis? ACS Catalysis, 2019, 9, 2984 |
4514731 | CIF | C26 H36 Br4 Hg2 N4 | C 1 2/c 1 | 18.486; 9.2309; 20.682 90; 106.8; 90 | 3378.6 | Chernyshev, Victor M.; Astakhov, Alexander V.; Chikunov, Ilya E.; Tyurin, Roman V.; Eremin, Dmitry B.; Ranny, Gleb S.; Khrustalev, Victor N.; Ananikov, Valentine P. Pd and Pt Catalyst Poisoning in the Study of Reaction Mechanisms: What Does the Mercury Test Mean for Catalysis? ACS Catalysis, 2019, 9, 2984 |
4514732 | CIF | C18 H20 Hg2 I4 N4 | P 1 21/n 1 | 10.648; 20.021; 12.134 90; 95.49; 90 | 2574.9 | Chernyshev, Victor M.; Astakhov, Alexander V.; Chikunov, Ilya E.; Tyurin, Roman V.; Eremin, Dmitry B.; Ranny, Gleb S.; Khrustalev, Victor N.; Ananikov, Valentine P. Pd and Pt Catalyst Poisoning in the Study of Reaction Mechanisms: What Does the Mercury Test Mean for Catalysis? ACS Catalysis, 2019, 9, 2984 |
4514733 | CIF | C102.56 H52 F2 O34 Zr6 | P 6/m m m | 39.446; 39.446; 16.4166 90; 90; 120 | 22122 | Liu, Jian; Li, Zhanyong; Zhang, Xuan; Otake, Ken-ichi; Zhang, Lin; Peters, Aaron W.; Young, Matthias J.; Bedford, Nicholas M.; Letourneau, Steven P.; Mandia, David J.; Elam, Jeffrey W.; Farha, Omar K.; Hupp, Joseph T. Introducing Nonstructural Ligands to Zirconia-like Metal‒Organic Framework Nodes To Tune the Activity of Node-Supported Nickel Catalysts for Ethylene Hydrogenation ACS Catalysis, 2019, 9, 3198 |
4514734 | CIF | C51 H53 Ni P2 | P 1 2/c 1 | 22.883; 9.2579; 21.1481 90; 115.533; 90 | 4042.6 | Charboneau, David J.; Brudvig, Gary W.; Hazari, Nilay; Lant, Hannah M. C.; Saydjari, Andrew K. Development of an Improved System for the Carboxylation of Aryl Halides through Mechanistic Studies. ACS catalysis, 2019, 9, 3228-3241 |
4514735 | CIF | C17 H14 Cl N O4 | P 21 21 21 | 7.7672; 8.6398; 22.845 90; 90; 90 | 1533.1 | Dai, Yuanwei; Tian, Baotong; Chen, Huan; Zhang, Qiang Palladium-Catalyzed Stereospecific C-Glycosylation of Glycals with Vinylogous Acceptors ACS Catalysis, 2019, 9, 2909 |
4514736 | CIF | C22 H37 N3 O4 Si | P 1 21 1 | 9.1154; 9.7854; 14.6304 90; 96.443; 90 | 1296.76 | Zhan, Bei-Bei; Fan, Jun; Jin, Liang; Shi, Bing-Feng Divergent Synthesis of Silicon-Containing Peptides via Pd-Catalyzed Post-Assembly γ-C(sp3)‒H Silylation ACS Catalysis, 2019, 9, 3298 |
4514737 | CIF | C89 H64 Al B2 F36 N O6 P4 Rh2 | P -1 | 14.5138; 18.5644; 21.462 104.385; 102.683; 107.545 | 5062.15 | Adams, Gemma M.; Ryan, David E.; Beattie, Nicholas A.; McKay, Alasdair I.; Lloyd-Jones, Guy C; Weller, Andrew S. Dehydropolymerization of H<sub>3</sub>B·NMeH<sub>2</sub> Using a [Rh(DPEphos)]<sup>+</sup> Catalyst: The Promoting Effect of NMeH<sub>2</sub>. ACS catalysis, 2019, 9, 3657-3666 |
4514738 | CIF | C27 H36 Cl F Ni P2 | P 1 21/n 1 | 11.8371; 14.1571; 16.2044 90; 99.776; 90 | 2676.1 | Russell, John E. A.; Entz, Emily D.; Joyce, Ian M.; Neufeldt, Sharon R. Nickel-Catalyzed Stille Cross Coupling of C-O Electrophiles. ACS catalysis, 2019, 9, 3304-3310 |
4514739 | CIF | C29 H42 F N Ni O3 P2 S | P 1 21/m 1 | 8.6752; 12.5702; 14.4059 90; 101.795; 90 | 1537.78 | Russell, John E. A.; Entz, Emily D.; Joyce, Ian M.; Neufeldt, Sharon R. Nickel-Catalyzed Stille Cross Coupling of C-O Electrophiles. ACS catalysis, 2019, 9, 3304-3310 |
4514740 | CIF | C32 H58 Co I N4 P2 Zr | P n m a | 15.4307; 22.1735; 10.8845 90; 90; 90 | 3724.2 | Gramigna, Kathryn M.; Dickie, Diane A.; Foxman, Bruce M.; Thomas, Christine M. Cooperative H2 Activation across a Metal‒Metal Multiple Bond and Hydrogenation Reactions Catalyzed by a Zr/Co Heterobimetallic Complex ACS Catalysis, 2019, 9, 3153 |
4514741 | CIF | C56 H92 Co2 I6 N4 P4 Zr2 | P -1 | 11.4073; 12.4796; 14.109 100.063; 97.493; 112.211 | 1787.87 | Gramigna, Kathryn M.; Dickie, Diane A.; Foxman, Bruce M.; Thomas, Christine M. Cooperative H2 Activation across a Metal‒Metal Multiple Bond and Hydrogenation Reactions Catalyzed by a Zr/Co Heterobimetallic Complex ACS Catalysis, 2019, 9, 3153 |
4514742 | CIF | C45 H67 Co I N2 O P3 Zr | P -1 | 9.9663; 10.4166; 23.1907 81.58; 83.529; 82.278 | 2349.34 | Gramigna, Kathryn M.; Dickie, Diane A.; Foxman, Bruce M.; Thomas, Christine M. Cooperative H2 Activation across a Metal‒Metal Multiple Bond and Hydrogenation Reactions Catalyzed by a Zr/Co Heterobimetallic Complex ACS Catalysis, 2019, 9, 3153 |
4514743 | CIF | C35 H65 Co I N2 O P3 Zr | C 1 2/c 1 | 38.6599; 12.0858; 18.3535 90; 103.833; 90 | 8326.7 | Gramigna, Kathryn M.; Dickie, Diane A.; Foxman, Bruce M.; Thomas, Christine M. Cooperative H2 Activation across a Metal‒Metal Multiple Bond and Hydrogenation Reactions Catalyzed by a Zr/Co Heterobimetallic Complex ACS Catalysis, 2019, 9, 3153 |
4514744 | CIF | C45 H69 Co I N2 O P3 Zr | P -1 | 12.2182; 13.374; 16.9003 70.756; 71.3; 74.862 | 2432.1 | Gramigna, Kathryn M.; Dickie, Diane A.; Foxman, Bruce M.; Thomas, Christine M. Cooperative H2 Activation across a Metal‒Metal Multiple Bond and Hydrogenation Reactions Catalyzed by a Zr/Co Heterobimetallic Complex ACS Catalysis, 2019, 9, 3153 |
4514745 | CIF | C46 H64 Co I N2 O P2 Zr | P -1 | 10.7474; 11.7734; 20.3607 77.69; 79.557; 69.802 | 2345.95 | Gramigna, Kathryn M.; Dickie, Diane A.; Foxman, Bruce M.; Thomas, Christine M. Cooperative H2 Activation across a Metal‒Metal Multiple Bond and Hydrogenation Reactions Catalyzed by a Zr/Co Heterobimetallic Complex ACS Catalysis, 2019, 9, 3153 |
4514746 | CIF | C31 H38 B N3 O4 | P 1 21 1 | 6.5323; 24.418; 9.191 90; 104.387; 90 | 1420.04 | Liu, Zhen; Li, Xiaohan; Zeng, Tian; Engle, Keary M. Directed, Palladium(II)-Catalyzed Enantioselective anti-Carboboration of Alkenyl Carbonyl Compounds ACS Catalysis, 2019, 9, 3260 |
4514747 | CIF | C17 H18 N2 O3 Pd | P 1 21/n 1 | 8.6104; 10.5955; 17.71 90; 99.051; 90 | 1595.59 | Liu, Zhen; Li, Xiaohan; Zeng, Tian; Engle, Keary M. Directed, Palladium(II)-Catalyzed Enantioselective anti-Carboboration of Alkenyl Carbonyl Compounds ACS Catalysis, 2019, 9, 3260 |
4514748 | CIF | C30 H36 B N3 O3 | P 1 21 1 | 6.3743; 23.6017; 9.0486 90; 101.68; 90 | 1333.12 | Liu, Zhen; Li, Xiaohan; Zeng, Tian; Engle, Keary M. Directed, Palladium(II)-Catalyzed Enantioselective anti-Carboboration of Alkenyl Carbonyl Compounds ACS Catalysis, 2019, 9, 3260 |
4514749 | CIF | C44 H40 N6 O10 Zn2 | P -1 | 8.7707; 11.7137; 13.5892 82.784; 81.615; 88.403 | 1370.2 | Markad, Datta; Mandal, Sanjay K. Design of a Primary-Amide-Functionalized Highly Efficient and Recyclable Hydrogen-Bond-Donating Heterogeneous Catalyst for the Friedel‒Crafts Alkylation of Indoles with β-Nitrostyrenes ACS Catalysis, 2019, 9, 3165 |
4514750 | CIF | C42 H33 Cl F2 Ni P2 | C 1 2/c 1 | 30.115; 11.645; 20.4586 90; 102.223; 90 | 7012 | Stadler, Sonja M.; Göttker-Schnetmann, Inigo; Mecking, Stefan Incorporation of Radicals during Ni(II)-Catalyzed Ethylene Insertion Polymerization ACS Catalysis, 2019, 9, 2760 |
4514751 | CIF | C51 H58 F2 N Ni O2 P | P b c a | 16.868; 20.0011; 26.7439 90; 90; 90 | 9022.8 | Stadler, Sonja M.; Göttker-Schnetmann, Inigo; Mecking, Stefan Incorporation of Radicals during Ni(II)-Catalyzed Ethylene Insertion Polymerization ACS Catalysis, 2019, 9, 2760 |
4514752 | CIF | C10 H9 Br O3 | P 1 21 1 | 4.7773; 16.685; 6.289 90; 104.66; 90 | 485 | Sawano, Takahiro; Yamamoto, Hisashi Enantioselective Epoxidation of β,γ-Unsaturated Carboxylic Acids by a Cooperative Binuclear Titanium Complex ACS Catalysis, 2019, 9, 3384 |
4514753 | CIF | C22 H19 Br N2 O2 | P 21 21 21 | 7.3331; 9.8564; 25.7259 90; 90; 90 | 1859.42 | Yang, Qian-Qian; Yin, Xiang; He, Xiao-Long; Du, Wei; Chen, Ying-Chun Asymmetric Formal [5 + 3] Cycloadditions with Unmodified Morita‒Baylis‒Hillman Alcohols via Double Activation Catalysis ACS Catalysis, 2019, 9, 1258 |
4514754 | CIF | C36 H32 Cl2 N4 O2 | P 1 21 1 | 11.3963; 10.25731; 13.268 90; 95.0958; 90 | 1544.84 | Yang, Qian-Qian; Yin, Xiang; He, Xiao-Long; Du, Wei; Chen, Ying-Chun Asymmetric Formal [5 + 3] Cycloadditions with Unmodified Morita‒Baylis‒Hillman Alcohols via Double Activation Catalysis ACS Catalysis, 2019, 9, 1258 |
4514755 | CIF | C22 H19 N O3 S | P 1 21 1 | 17.546; 6.607; 17.993 90; 115.207; 90 | 1887.2 | Bai, Xing-Feng; Mu, Qiu-Chao; Xu, Zheng; Yang, Ke-Fang; Li, Li; Zheng, Zhan-Jiang; Xia, Chun-Gu; Xu, Li-Wen Catalytic Asymmetric Carbonylation of Prochiral Sulfonamides via C‒H Desymmetrization ACS Catalysis, 2019, 9, 1431 |
4514756 | CIF | C25 H24 N O3 S | P 21 21 21 | 9.162; 10.694; 22.484 90; 90; 90 | 2203 | Bai, Xing-Feng; Mu, Qiu-Chao; Xu, Zheng; Yang, Ke-Fang; Li, Li; Zheng, Zhan-Jiang; Xia, Chun-Gu; Xu, Li-Wen Catalytic Asymmetric Carbonylation of Prochiral Sulfonamides via C‒H Desymmetrization ACS Catalysis, 2019, 9, 1431 |
4514757 | CIF | C29 H21 N O3 S | P 21 21 21 | 6.556; 13.237; 25.625 90; 90; 90 | 2223.8 | Bai, Xing-Feng; Mu, Qiu-Chao; Xu, Zheng; Yang, Ke-Fang; Li, Li; Zheng, Zhan-Jiang; Xia, Chun-Gu; Xu, Li-Wen Catalytic Asymmetric Carbonylation of Prochiral Sulfonamides via C‒H Desymmetrization ACS Catalysis, 2019, 9, 1431 |
4514758 | CIF | C23 H21 N O5 S | P 21 21 21 | 8.9405; 10.0639; 23.127 90; 90; 90 | 2080.9 | Bai, Xing-Feng; Mu, Qiu-Chao; Xu, Zheng; Yang, Ke-Fang; Li, Li; Zheng, Zhan-Jiang; Xia, Chun-Gu; Xu, Li-Wen Catalytic Asymmetric Carbonylation of Prochiral Sulfonamides via C‒H Desymmetrization ACS Catalysis, 2019, 9, 1431 |
4514759 | CIF | C18 H16 Br2 O2 | P -3 | 24.679; 24.679; 9.5417 90; 90; 120 | 5032.8 | Trost, Barry M.; Tracy, Jacob S. Vanadium-Catalyzed Synthesis of Geometrically Defined Acyclic Tri- and Tetrasubstituted Olefins from Propargyl Alcohols ACS Catalysis, 2019, 9, 1584 |
4514760 | CIF | C12.5 H16 Cl2 Co N1.5 O | P 1 | 8.5586; 8.9303; 9.6822 76.723; 86.703; 85.126 | 717.08 | Wen, Huanan; Wang, Kuan; Zhang, Yanlu; Liu, Guixia; Huang, Zheng Cobalt-Catalyzed Regio- and Enantioselective Markovnikov 1,2-Hydrosilylation of Conjugated Dienes ACS Catalysis, 2019, 9, 1612 |
4514761 | CIF | C16 H18 Cl2 Co N2 O | P 1 21 1 | 9.7507; 13.413; 12.9181 90; 90.316; 90 | 1689.48 | Wen, Huanan; Wang, Kuan; Zhang, Yanlu; Liu, Guixia; Huang, Zheng Cobalt-Catalyzed Regio- and Enantioselective Markovnikov 1,2-Hydrosilylation of Conjugated Dienes ACS Catalysis, 2019, 9, 1612 |
4514762 | CIF | C29.48 H29.66 Cl1.27 N O3 | C 1 2 1 | 25.1281; 6.268; 15.987 90; 99.524; 90 | 2483.29 | Trost, Barry M.; Hung, Chao-I Joey; Gnanamani, Elumalai Tuning the Reactivity of Ketones through Unsaturation: Construction of Cyclic and Acyclic Quaternary Stereocenters via Zn-ProPhenol Catalyzed Mannich Reactions ACS Catalysis, 2019, 9, 1549 |
4514763 | CIF | C22 H19 O P | P 1 21 1 | 15.7797; 6.4246; 18.8309 90; 114.711; 90 | 1734.23 | Lu, Zhiwu; Zhang, Haoyang; Yang, Zhiping; Ding, Ning; Meng, Ling; Wang, Jun Asymmetric Hydrophosphination of Heterobicyclic Alkenes: Facile Access to Phosphine Ligands for Asymmetric Catalysis ACS Catalysis, 2019, 9, 1457 |
4514764 | CIF | C27 H26 F2 N O2 P | P 1 21 1 | 10.6041; 11.5598; 19.577 90; 94.744; 90 | 2391.6 | Lu, Zhiwu; Zhang, Haoyang; Yang, Zhiping; Ding, Ning; Meng, Ling; Wang, Jun Asymmetric Hydrophosphination of Heterobicyclic Alkenes: Facile Access to Phosphine Ligands for Asymmetric Catalysis ACS Catalysis, 2019, 9, 1457 |
4514765 | CIF | C24 H21 O3 P | P 21 21 21 | 9.561; 9.713; 20.717 90; 90; 90 | 1923.9 | Lu, Zhiwu; Zhang, Haoyang; Yang, Zhiping; Ding, Ning; Meng, Ling; Wang, Jun Asymmetric Hydrophosphination of Heterobicyclic Alkenes: Facile Access to Phosphine Ligands for Asymmetric Catalysis ACS Catalysis, 2019, 9, 1457 |
4514766 | CIF | C20 H27 N O6 | P 1 21 1 | 6.03; 19.3547; 9.0029 90; 102.453; 90 | 1026 | Sim, Jaehoon; Campbell, Mark W.; Molander, Gary A. Synthesis of α-Fluoro-α-Amino Acid Derivatives via Photoredox-Catalyzed Carbofluorination. ACS catalysis, 2019, 9, 1558-1563 |
4514767 | CIF | C15 H16 O2 | P 21 21 21 | 5.6039; 10.7509; 19.196 90; 90; 90 | 1156.5 | Zheng, Pengfei; Wang, Chengpeng; Chen, Ying-Chun; Dong, Guangbin Pd-Catalyzed Intramolecular α-Allylic Alkylation of Ketones with Alkynes: Rapid and Stereodivergent Construction of [3.2.1] Bicycles ACS Catalysis, 2019, 9, 5515 |
4514768 | CIF | C35 H51 F6 N3 O5 S2 Zn | P 21 21 21 | 13.6599; 14.2563; 20.5882 90; 90; 90 | 4009.34 | Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J. Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane ACS Catalysis, 2019, 9, 5760 |
4514769 | CIF | C37 H47 F6 N3 O4 S2 Zn | P 1 21/c 1 | 19.3499; 20.6938; 20.4521 90; 105.975; 90 | 7873.2 | Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J. Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane ACS Catalysis, 2019, 9, 5760 |
4514770 | CIF | C26.67 H32.67 Cl2 F4 N2 O2.67 S1.33 Zn0.67 | P -1 | 10.0474; 16.5268; 16.5479 117.002; 106.69; 94.539 | 2273.4 | Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J. Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane ACS Catalysis, 2019, 9, 5760 |
4514771 | CIF | C47 H56 N2 Zn | P 1 21/c 1 | 19.3717; 16.9243; 27.5305 90; 101.738; 90 | 8837.2 | Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J. Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane ACS Catalysis, 2019, 9, 5760 |
4514772 | CIF | C35 H54 Cl2 N2 O1.5 Zn | P 1 21/c 1 | 12.9149; 19.5194; 19.2829 90; 133.379; 90 | 3533.1 | Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J. Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane ACS Catalysis, 2019, 9, 5760 |
4514773 | CIF | C41 H52 N2 Zn | P 1 21/c 1 | 20.3293; 9.7719; 18.4536 90; 106.688; 90 | 3511.5 | Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J. Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane ACS Catalysis, 2019, 9, 5760 |
4514774 | CIF | C43 H57 F6 N3 O6 S2 Zn | P -1 | 11.9544; 13.4764; 15.7416 95.505; 100.925; 110.249 | 2299.96 | Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J. Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane ACS Catalysis, 2019, 9, 5760 |
4514775 | CIF | C19 H18 O2 | P 21 21 21 | 9.663; 9.7186; 31.0442 90; 90; 90 | 2915.39 | Yang, Junfeng; Sekiguchi, Yoshiya; Yoshikai, Naohiko Cobalt-Catalyzed Enantioselective and Chemodivergent Addition of Cyclopropanols to Oxabicyclic Alkenes ACS Catalysis, 2019, 9, 5638 |
4514776 | CIF | C27 H25 O3 P S | P 21 21 2 | 13.6131; 35.785; 9.9738 90; 90; 90 | 4858.7 | Zhang, Yu; Zhang, Fengcai; Chen, Long; Xu, Jian; Liu, Xiaohua; Feng, Xiaoming Asymmetric Synthesis of P-Stereogenic Compounds via Thulium(III)-Catalyzed Desymmetrization of Dialkynylphosphine Oxides ACS Catalysis, 2019, 9, 4834 |
4514777 | CIF | C46 H72 Dy F9 N4 O17 S3 | P 1 21 1 | 12.1386; 16.1932; 15.8018 90; 97.546; 90 | 3079.1 | Zhang, Yu; Zhang, Fengcai; Chen, Long; Xu, Jian; Liu, Xiaohua; Feng, Xiaoming Asymmetric Synthesis of P-Stereogenic Compounds via Thulium(III)-Catalyzed Desymmetrization of Dialkynylphosphine Oxides ACS Catalysis, 2019, 9, 4834 |
4514778 | CIF | C51 H84 F9 N4 O18 Pr S3 | P 1 21 1 | 12.1823; 16.5445; 16.408 90; 101.368; 90 | 3242.2 | Zhang, Yu; Zhang, Fengcai; Chen, Long; Xu, Jian; Liu, Xiaohua; Feng, Xiaoming Asymmetric Synthesis of P-Stereogenic Compounds via Thulium(III)-Catalyzed Desymmetrization of Dialkynylphosphine Oxides ACS Catalysis, 2019, 9, 4834 |
4514779 | CIF | C53 H82 F9 N4 O15 S3 Tm | P 21 21 21 | 15.6161; 19.6361; 21.6999 90; 90; 90 | 6654 | Zhang, Yu; Zhang, Fengcai; Chen, Long; Xu, Jian; Liu, Xiaohua; Feng, Xiaoming Asymmetric Synthesis of P-Stereogenic Compounds via Thulium(III)-Catalyzed Desymmetrization of Dialkynylphosphine Oxides ACS Catalysis, 2019, 9, 4834 |
4514780 | CIF | C44 H40 O P2 | P 21 21 21 | 9.9449; 17.1268; 19.9556 90; 90; 90 | 3398.92 | Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor Catalytic Asymmetric C‒H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines ACS Catalysis, 2019, 9, 5268 |
4514781 | CIF | C17 H11 Cr F O5 | P 1 | 7.0791; 7.2172; 16.4881 85.775; 87.502; 64.437 | 757.81 | Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor Catalytic Asymmetric C‒H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines ACS Catalysis, 2019, 9, 5268 |
4514782 | CIF | C43 H32 Cl2 N4 O | P -1 | 11.209; 13.582; 13.728 60.753; 79.38; 76.89 | 1769.4 | Takamatsu, Kazutaka; Hayashi, Yoshihiro; Kawauchi, Susumu; Hirano, Koji; Miura, Masahiro Copper-Catalyzed Regioselective C‒H Amination of Phenol Derivatives with Assistance of Phenanthroline-Based Bidentate Auxiliary ACS Catalysis, 2019, 9, 5336 |
4514783 | CIF | C31 H31 N O2 S | P -1 | 10.628; 11.4207; 12.9524 65.936; 85.626; 72.954 | 1370.77 | Li, Man-Bo; Grape, Erik Svensson; Bäckvall, Jan-E. Palladium-Catalyzed Stereospecific Oxidative Cascade Reaction of Allenes for the Construction of Pyrrole Rings: Control of Reactivity and Selectivity ACS Catalysis, 2019, 9, 5184 |
4514784 | CIF | C28 H27 N O2 S | P 1 21/c 1 | 14.0088; 9.652; 19.0811 90; 109.714; 90 | 2428.79 | Li, Man-Bo; Grape, Erik Svensson; Bäckvall, Jan-E. Palladium-Catalyzed Stereospecific Oxidative Cascade Reaction of Allenes for the Construction of Pyrrole Rings: Control of Reactivity and Selectivity ACS Catalysis, 2019, 9, 5184 |
4514785 | CIF | C15 H17 N O4 | P n a 21 | 9.7201; 26.2838; 5.4483 90; 90; 90 | 1391.94 | Wu, Wenli; Cui, Enxin; Zhang, Yun; Zhang, Chen; Zhu, Feng; Tung, Chen-Ho; Wang, Yifeng Involving Single-Atom Silver(0) in Selective Dehalogenation by AgF under Visible-Light Irradiation ACS Catalysis, 2019, 9, 6335 |
4514786 | CIF | C16 H12 N2 | P n a 21 | 7.5559; 13.9087; 11.4271 90; 90; 90 | 1200.91 | Wu, Wenli; Cui, Enxin; Zhang, Yun; Zhang, Chen; Zhu, Feng; Tung, Chen-Ho; Wang, Yifeng Involving Single-Atom Silver(0) in Selective Dehalogenation by AgF under Visible-Light Irradiation ACS Catalysis, 2019, 9, 6335 |
4514787 | CIF | C8 H6 N | P 1 21/n 1 | 7.8048; 5.9454; 13.2408 90; 92.593; 90 | 613.78 | Wu, Wenli; Cui, Enxin; Zhang, Yun; Zhang, Chen; Zhu, Feng; Tung, Chen-Ho; Wang, Yifeng Involving Single-Atom Silver(0) in Selective Dehalogenation by AgF under Visible-Light Irradiation ACS Catalysis, 2019, 9, 6335 |
4514788 | CIF | C11 H11 F3 O2 | P 41 21 2 | 7.262; 7.262; 41.516 90; 90; 90 | 2189.41 | Kerdphon, Sutthichat; Ponra, Sudipta; Yang, Jianping; Wu, Haibo; Eriksson, Lars; Andersson, Pher G. Diastereo- and Enantioselective Synthesis of Structurally Diverse Succinate, Butyrolactone, and Trifluoromethyl Derivatives by Iridium-Catalyzed Hydrogenation of Tetrasubstituted Olefins ACS Catalysis, 2019, 9, 6169 |
4514789 | CIF | C18 H15 N O2 | P 21 21 21 | 8.98144; 9.10592; 35.9259 90; 90; 90 | 2938.17 | Li, Yi-Pan; Li, Zi-Qi; Zhou, Biying; Li, Mao-Lin; Xue, Xiao-Song; Zhu, Shou-Fei; Zhou, Qi-Lin Chiral Spiro Phosphoric Acid-Catalyzed Friedel‒Crafts Conjugate Addition/Enantioselective Protonation Reactions ACS Catalysis, 2019, 9, 6522 |
4514790 | CIF | C19 H17 N O | P 1 21 1 | 9.3678; 6.9408; 11.2829 90; 93.95; 90 | 731.872 | Li, Yi-Pan; Li, Zi-Qi; Zhou, Biying; Li, Mao-Lin; Xue, Xiao-Song; Zhu, Shou-Fei; Zhou, Qi-Lin Chiral Spiro Phosphoric Acid-Catalyzed Friedel‒Crafts Conjugate Addition/Enantioselective Protonation Reactions ACS Catalysis, 2019, 9, 6522 |
4514791 | CIF | C25 H22 I O P | P n a 21 | 14.0443; 8.9519; 34.5515 90; 90; 90 | 4343.92 | Zhang, Lumin; Si, Xiaojia; Yang, Yangyang; Witzel, Sina; Sekine, Kohei; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K. Reductive C‒C Coupling by Desulfurizing Gold-Catalyzed Photoreactions ACS Catalysis, 2019, 9, 6118 |
4514792 | CIF | C40 H48 B2 Fe N12 | C 1 2/c 1 | 20.1074; 16.9145; 25.426 90; 108.024; 90 | 8223.2 | Isbill, Sara B.; Chandrachud, Preeti P.; Kern, Jesse L.; Jenkins, David M.; Roy, Sharani Elucidation of the Reaction Mechanism of C<sub>2</sub> + N<sub>1</sub> Aziridination from Tetracarbene Iron Catalysts. ACS catalysis, 2019, 9, 6223-6233 |
4514793 | CIF | C24 H31 Cl Ir N O | P 1 21/n 1 | 8.81332; 15.7101; 17.1127 90; 102.781; 90 | 2310.68 | Chen, Shuyou; Zhang, Min; Su, Rongchuan; Chen, Xingyu; Feng, Boya; Yang, Yudong; You, Jingsong C2/C4 Regioselective Heteroarylation of Indoles by Tuning C‒H Metalation Modes ACS Catalysis, 2019, 9, 6372 |
4514794 | CIF | C32 H36 Ir N O2 | P -1 | 11.5179; 13.5428; 18.483 76.588; 87.879; 89.094 | 2802.44 | Chen, Shuyou; Zhang, Min; Su, Rongchuan; Chen, Xingyu; Feng, Boya; Yang, Yudong; You, Jingsong C2/C4 Regioselective Heteroarylation of Indoles by Tuning C‒H Metalation Modes ACS Catalysis, 2019, 9, 6372 |
4514795 | CIF | C19 H21 N O S | P b c a | 10.7285; 17.9511; 18.0222 90; 90; 90 | 3470.87 | Chen, Shuyou; Zhang, Min; Su, Rongchuan; Chen, Xingyu; Feng, Boya; Yang, Yudong; You, Jingsong C2/C4 Regioselective Heteroarylation of Indoles by Tuning C‒H Metalation Modes ACS Catalysis, 2019, 9, 6372 |
4514796 | CIF | C22 H21 N O2 | P 21 21 21 | 7.1896; 13.9891; 17.894 90; 90; 90 | 1799.71 | Chen, Shuyou; Zhang, Min; Su, Rongchuan; Chen, Xingyu; Feng, Boya; Yang, Yudong; You, Jingsong C2/C4 Regioselective Heteroarylation of Indoles by Tuning C‒H Metalation Modes ACS Catalysis, 2019, 9, 6372 |
4514797 | CIF | C22 H23 N O | P 43 | 10.6545; 10.6545; 15.1128 90; 90; 90 | 1715.58 | Sahani, Rajkumar Lalji; Liu, Rai-Shung Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring ACS Catalysis, 2019, 9, 5890 |
4514798 | CIF | C20 H19 N O | P 21 21 21 | 5.6073; 16.7309; 16.9207 90; 90; 90 | 1587.42 | Sahani, Rajkumar Lalji; Liu, Rai-Shung Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring ACS Catalysis, 2019, 9, 5890 |
4514799 | CIF | C24 H22 N2 O | P b c a | 10.4266; 18.053; 19.734 90; 90; 90 | 3714.6 | Sahani, Rajkumar Lalji; Liu, Rai-Shung Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring ACS Catalysis, 2019, 9, 5890 |
4514800 | CIF | C26 H24 N2 O | P 1 21 1 | 8.7098; 8.9173; 13.0467 90; 93.444; 90 | 1011.48 | Sahani, Rajkumar Lalji; Liu, Rai-Shung Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring ACS Catalysis, 2019, 9, 5890 |
4514801 | CIF | C18 H19 N O2 | P -1 | 9.859; 10.008; 15.838 93.054; 90.75; 99.872 | 1537 | Sahani, Rajkumar Lalji; Liu, Rai-Shung Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring ACS Catalysis, 2019, 9, 5890 |
4514802 | CIF | C30 H36 B N3 O3 | P 1 21 1 | 6.5399; 23.9124; 9.103 90; 102.293; 90 | 1390.93 | Bai, Zibo; Zheng, Sujuan; Bai, Ziqian; Song, Fangfang; Wang, Hao; Peng, Qian; Chen, Gong; He, Gang Palladium-Catalyzed Amide-Directed Enantioselective Carboboration of Unactivated Alkenes Using a Chiral Monodentate Oxazoline Ligand ACS Catalysis, 2019, 9, 6502 |
4514803 | CIF | C30 H36 B N3 O3 | P 41 21 2 | 9.0322; 9.0322; 68.9818 90; 90; 90 | 5627.58 | Bai, Zibo; Zheng, Sujuan; Bai, Ziqian; Song, Fangfang; Wang, Hao; Peng, Qian; Chen, Gong; He, Gang Palladium-Catalyzed Amide-Directed Enantioselective Carboboration of Unactivated Alkenes Using a Chiral Monodentate Oxazoline Ligand ACS Catalysis, 2019, 9, 6502 |
4514804 | CIF | C34 H36 O S2 | P 1 21/c 1 | 12.8072; 13.6963; 17.6483 90; 110.451; 90 | 2900.59 | Yang, Shiping; Cheng, Rui; Zhang, Min; Bin, Zhengyang; You, Jingsong Rh/Ag-Mediated Peri-Selective Heteroarylation/Single Electron Transfer Annulation Cascade of 1-(Methylthio)naphthalenes and Analogues: Road Less Traveled to Benzo[de]thioacenes ACS Catalysis, 2019, 9, 6188 |
4514805 | CIF | C19 H14 S2 | P -1 | 7.9503; 8.3038; 12.6012 78.352; 79.15; 72.944 | 771.51 | Yang, Shiping; Cheng, Rui; Zhang, Min; Bin, Zhengyang; You, Jingsong Rh/Ag-Mediated Peri-Selective Heteroarylation/Single Electron Transfer Annulation Cascade of 1-(Methylthio)naphthalenes and Analogues: Road Less Traveled to Benzo[de]thioacenes ACS Catalysis, 2019, 9, 6188 |
4514806 | CIF | C19 H14 O S2 | C 1 2/c 1 | 16.653; 5.92231; 33.4022 90; 104.977; 90 | 3182.36 | Yang, Shiping; Cheng, Rui; Zhang, Min; Bin, Zhengyang; You, Jingsong Rh/Ag-Mediated Peri-Selective Heteroarylation/Single Electron Transfer Annulation Cascade of 1-(Methylthio)naphthalenes and Analogues: Road Less Traveled to Benzo[de]thioacenes ACS Catalysis, 2019, 9, 6188 |
4514807 | CIF | C21 H24 Cl Rh S | P 1 21 1 | 7.74658; 14.0941; 9.1196 90; 108.015; 90 | 946.87 | Yang, Shiping; Cheng, Rui; Zhang, Min; Bin, Zhengyang; You, Jingsong Rh/Ag-Mediated Peri-Selective Heteroarylation/Single Electron Transfer Annulation Cascade of 1-(Methylthio)naphthalenes and Analogues: Road Less Traveled to Benzo[de]thioacenes ACS Catalysis, 2019, 9, 6188 |
4514808 | CIF | C18 H10 S2 | P 1 21/c 1 | 3.95493; 12.7072; 25.5848 90; 91.496; 90 | 1285.35 | Yang, Shiping; Cheng, Rui; Zhang, Min; Bin, Zhengyang; You, Jingsong Rh/Ag-Mediated Peri-Selective Heteroarylation/Single Electron Transfer Annulation Cascade of 1-(Methylthio)naphthalenes and Analogues: Road Less Traveled to Benzo[de]thioacenes ACS Catalysis, 2019, 9, 6188 |
4514809 | CIF | C42 H78 N6 O Si6 Th | P -1 | 11.208; 13.909; 19.199 69.17; 83.14; 71.15 | 2647.3 | Saha, Sayantani; Eisen, Moris S. Catalytic Recycling of a Th‒H Bond via Single or Double Hydroboration of Inactivated Imines or Nitriles ACS Catalysis, 2019, 9, 5947 |
4514810 | CIF | C10 H10 F2 O2 | P 1 21/c 1 | 9.946; 9.088; 10.222 90; 102.351; 90 | 902.6 | Nakayama, Yoshiki; Ando, Gaku; Abe, Manabu; Koike, Takashi; Akita, Munetaka Keto-Difluoromethylation of Aromatic Alkenes by Photoredox Catalysis: Step-Economical Synthesis of α-CF2H-Substituted Ketones in Flow ACS Catalysis, 2019, 9, 6555 |
4514811 | CIF | C15 H18 O2 | P n a 21 | 25.8841; 7.333; 6.343 90; 90; 90 | 1203.95 | Luo, Youran; Gutiérrez-Bonet, Álvaro; Matsui, Jennifer K.; Rotella, Madeline E.; Dykstra, Ryan; Gutierrez, Osvaldo; Molander, Gary A. Oxa- and Azabenzonorbornadienes as Electrophilic Partners under Photoredox/Nickel Dual Catalysis ACS Catalysis, 2019, 9, 8835 |
4514812 | CIF | C21 H29 N O2 | P 1 21 1 | 5.5974; 16.9126; 19.3211 90; 90.056; 90 | 1829.1 | Luo, Youran; Gutiérrez-Bonet, Álvaro; Matsui, Jennifer K.; Rotella, Madeline E.; Dykstra, Ryan; Gutierrez, Osvaldo; Molander, Gary A. Oxa- and Azabenzonorbornadienes as Electrophilic Partners under Photoredox/Nickel Dual Catalysis ACS Catalysis, 2019, 9, 8835 |
4514813 | CIF | C93 H84 F3 O31 P4 S Yb2 | P 1 21 1 | 17.0655; 17.2352; 23.1949 90; 95.16; 90 | 6794.6 | Luo, Weiwei; Sun, Zhicheng; Fernando, E. H. Nisala; Nesterov, Vladimir N.; Cundari, Thomas R.; Wang, Hong Asymmetric Ring-Opening of Donor‒Acceptor Cyclopropanes with Primary Arylamines Catalyzed by a Chiral Heterobimetallic Catalyst ACS Catalysis, 2019, 9, 8285 |
4514814 | CIF | C20 H23 N O5 | P 21 21 21 | 5.78428; 12.07053; 25.84988 90; 90; 90 | 1804.82 | Luo, Weiwei; Sun, Zhicheng; Fernando, E. H. Nisala; Nesterov, Vladimir N.; Cundari, Thomas R.; Wang, Hong Asymmetric Ring-Opening of Donor‒Acceptor Cyclopropanes with Primary Arylamines Catalyzed by a Chiral Heterobimetallic Catalyst ACS Catalysis, 2019, 9, 8285 |
4514815 | CIF | C25 H9 B F15 N O | P 1 21/c 1 | 15.7548; 8.5218; 17.5186 90; 91.195; 90 | 2351.52 | Meng, Shan-Shui; Tang, Xiaowen; Luo, Xiang; Wu, Ruibo; Zhao, Jun-Ling; Chan, Albert S. C. Borane-Catalyzed Chemoselectivity-Controllable N-Alkylation and ortho C-Alkylation of Unprotected Arylamines Using Benzylic Alcohols ACS Catalysis, 2019, 9, 8397 |
4514816 | CIF | C44 H55 Au N O2 P | P -1 | 11.7663; 12.5195; 15.6679 101.971; 95.869; 117.925 | 1941.11 | Verlee, Arno; Heugebaert, Thomas; van der Meer, Tom; Kerchev, Pavel; Van Hecke, Kristof; Van Breusegem, Frank; Stevens, Christian V. Gold and Palladium Mediated Bimetallic Catalysis: Mechanistic Investigation through the Isolation of the Organogold(I) Intermediates ACS Catalysis, 2019, 9, 7862 |
4514817 | CIF | C30 H25 Au N O2 P | P 1 21/c 1 | 12.35599; 11.5441; 17.5685 90; 98.0363; 90 | 2481.34 | Verlee, Arno; Heugebaert, Thomas; van der Meer, Tom; Kerchev, Pavel; Van Hecke, Kristof; Van Breusegem, Frank; Stevens, Christian V. Gold and Palladium Mediated Bimetallic Catalysis: Mechanistic Investigation through the Isolation of the Organogold(I) Intermediates ACS Catalysis, 2019, 9, 7862 |
4514818 | CIF | C19 H20 O | P 1 21 1 | 8.803; 5.4591; 15.567 90; 104.94; 90 | 722.8 | Yu, Zhunzhun; Mendoza, Abraham Enantioselective Assembly of Congested Cyclopropanes using Redox-Active Aryldiazoacetates ACS Catalysis, 2019, 9, 7870 |
4514819 | CIF | C24 H16 Br N O4 | P 1 21 1 | 9.7213; 9.12937; 12.1367 90; 102.827; 90 | 1050.24 | Yu, Zhunzhun; Mendoza, Abraham Enantioselective Assembly of Congested Cyclopropanes using Redox-Active Aryldiazoacetates ACS Catalysis, 2019, 9, 7870 |
4514820 | CIF | C25 H15 N3 O | C 1 2/c 1 | 39.582; 6.6842; 13.9095 90; 97.656; 90 | 3647.3 | Tian, Cong; Dhawa, Uttam; Scheremetjew, Alexej; Ackermann, Lutz Cupraelectro-Catalyzed Alkyne Annulation: Evidence for Distinct C‒H Alkynylation and Decarboxylative C‒H/C‒C Manifolds ACS Catalysis, 2019, 9, 7690 |
4514821 | CIF | C14 H17 N O2 | P 1 21/c 1 | 10.9605; 9.5967; 11.9487 90; 93.832; 90 | 1254 | Pang, Hailiang; Wu, Dong; Cong, Hengjiang; Yin, Guoyin Stereoselective Palladium-Catalyzed 1,3-Arylboration of Unconjugated Dienes for Expedient Synthesis of 1,3-Disubstituted Cyclohexanes ACS Catalysis, 2019, 9, 8555 |
4514822 | CIF | C16 H21 N O2 | P n a 21 | 23.054; 8.4318; 7.3235 90; 90; 90 | 1423.6 | Pang, Hailiang; Wu, Dong; Cong, Hengjiang; Yin, Guoyin Stereoselective Palladium-Catalyzed 1,3-Arylboration of Unconjugated Dienes for Expedient Synthesis of 1,3-Disubstituted Cyclohexanes ACS Catalysis, 2019, 9, 8555 |
4514823 | CIF | C15 H18 O3 | P 1 21/c 1 | 12.827; 20.383; 5.0473 90; 96.027; 90 | 1312.3 | Pang, Hailiang; Wu, Dong; Cong, Hengjiang; Yin, Guoyin Stereoselective Palladium-Catalyzed 1,3-Arylboration of Unconjugated Dienes for Expedient Synthesis of 1,3-Disubstituted Cyclohexanes ACS Catalysis, 2019, 9, 8555 |
4514824 | CIF | C16 H20 O3 | C 1 2/c 1 | 31.2814; 6.1424; 15.8248 90; 111.709; 90 | 2825 | Pang, Hailiang; Wu, Dong; Cong, Hengjiang; Yin, Guoyin Stereoselective Palladium-Catalyzed 1,3-Arylboration of Unconjugated Dienes for Expedient Synthesis of 1,3-Disubstituted Cyclohexanes ACS Catalysis, 2019, 9, 8555 |
4514825 | CIF | C19 H28 Cl Cu N3 O4 | P n a 21 | 23.1742; 9.9101; 9.2756 90; 90; 90 | 2130.22 | Hunt, Andrew P.; Batka, Allison E.; Hosseinzadeh, Marjan; Gregory, Jordan D.; Haque, Halima K.; Ren, Hang; Meyerhoff, Mark E.; Lehnert, Nicolai Nitric Oxide Generation On Demand for Biomedical Applications via Electrocatalytic Nitrite Reduction by Copper BMPA- and BEPA-Carboxylate Complexes. ACS catalysis, 2019, 9, 7746-7758 |
4514826 | CIF | C50 H52 Ir N4 | P 1 21/c 1 | 20.5401; 12.5368; 16.2915 90; 100.551; 90 | 4124.2 | Shon, Jong-Hwa; Sittel, Steven; Teets, Thomas S. Synthesis and Characterization of Strong Cyclometalated Iridium Photoreductants for Application in Photocatalytic Aryl Bromide Hydrodebromination ACS Catalysis, 2019, 9, 8646 |
4514827 | CIF | C43 H42 Ir N6 | P -1 | 10.1805; 13.1835; 14.4356 85.2561; 69.5849; 77.2239 | 1770.8 | Shon, Jong-Hwa; Sittel, Steven; Teets, Thomas S. Synthesis and Characterization of Strong Cyclometalated Iridium Photoreductants for Application in Photocatalytic Aryl Bromide Hydrodebromination ACS Catalysis, 2019, 9, 8646 |
4514828 | CIF | C41 H36 Ir N6 | P 1 21/n 1 | 14.476; 14.367; 34.464 90; 101.797; 90 | 7016.3 | Shon, Jong-Hwa; Sittel, Steven; Teets, Thomas S. Synthesis and Characterization of Strong Cyclometalated Iridium Photoreductants for Application in Photocatalytic Aryl Bromide Hydrodebromination ACS Catalysis, 2019, 9, 8646 |
4514829 | CIF | C39 H45 Ir N4 | P 1 21/c 1 | 11.3918; 14.4386; 20.4434 90; 99.64; 90 | 3315.1 | Shon, Jong-Hwa; Sittel, Steven; Teets, Thomas S. Synthesis and Characterization of Strong Cyclometalated Iridium Photoreductants for Application in Photocatalytic Aryl Bromide Hydrodebromination ACS Catalysis, 2019, 9, 8646 |
4514830 | CIF | C49 H55 Ir N6 | P 1 21/c 1 | 17.6455; 12.6291; 20.6034 90; 111.016; 90 | 4286 | Shon, Jong-Hwa; Sittel, Steven; Teets, Thomas S. Synthesis and Characterization of Strong Cyclometalated Iridium Photoreductants for Application in Photocatalytic Aryl Bromide Hydrodebromination ACS Catalysis, 2019, 9, 8646 |
4514831 | CIF | C11 H23 N3 O3 S | P 21 21 21 | 8.3707; 11.4502; 14.6387 90; 90; 90 | 1403.06 | Duhamel, Thomas; Martínez, Mario D.; Sideri, Ioanna K.; Muñiz, Kilian 1,3-Diamine Formation from an Interrupted Hofmann‒Löffler Reaction: Iodine Catalyst Turnover through Ritter-Type Amination ACS Catalysis, 2019, 9, 7741 |
4514832 | CIF | C12 H18 N2 O2 S | P b c a | 17.0285; 6.9101; 21.3006 90; 90; 90 | 2506.41 | Duhamel, Thomas; Martínez, Mario D.; Sideri, Ioanna K.; Muñiz, Kilian 1,3-Diamine Formation from an Interrupted Hofmann‒Löffler Reaction: Iodine Catalyst Turnover through Ritter-Type Amination ACS Catalysis, 2019, 9, 7741 |
4514833 | CIF | C29 H47 N3 O6 S | P 1 | 7.0841; 14.1779; 15.2277 98.32; 100.672; 103.356 | 1433.94 | Duhamel, Thomas; Martínez, Mario D.; Sideri, Ioanna K.; Muñiz, Kilian 1,3-Diamine Formation from an Interrupted Hofmann‒Löffler Reaction: Iodine Catalyst Turnover through Ritter-Type Amination ACS Catalysis, 2019, 9, 7741 |
4514834 | CIF | C17 H20 N2 O2 S | P 1 21/n 1 | 10.2981; 7.0578; 21.651 90; 94.024; 90 | 1569.8 | Duhamel, Thomas; Martínez, Mario D.; Sideri, Ioanna K.; Muñiz, Kilian 1,3-Diamine Formation from an Interrupted Hofmann‒Löffler Reaction: Iodine Catalyst Turnover through Ritter-Type Amination ACS Catalysis, 2019, 9, 7741 |
4514835 | CIF | C20 H30 Cl N3 O3 S | P b c a | 15.2153; 14.9228; 18.7632 90; 90; 90 | 4260.3 | Lam, Ying-Pong; Wang, Xinyan; Tan, Fei; Ng, Wing-Hin; Tse, Ying-Lung Steve; Yeung, Ying-Yeung Amide/Iminium Zwitterionic Catalysts for (Trans)esterification: Application in Biodiesel Synthesis ACS Catalysis, 2019, 9, 8083 |
4514836 | CIF | C32 H29 N O4 S | P 1 21/c 1 | 13.6328; 9.7259; 19.2323 90; 94.976; 90 | 2540.42 | Zeng, Rong; Li, Jun-Long; Zhang, Xiang; Liu, Yan-Qing; Jia, Zhi-Qiang; Leng, Hai-Jun; Huang, Qian-Wei; Liu, Yue; Li, Qing-Zhu Diastereoselective Construction of 6,8-Dioxabicyclo[3.2.1]octane Frameworks from Vinylethylene Carbonates via Palladium-Organo Relay Catalysis ACS Catalysis, 2019, 9, 8256 |
4514837 | CIF | C27 H27 N O4 S | P 1 21/c 1 | 37.0525; 12.0473; 10.4128 90; 90.415; 90 | 4647.97 | Zeng, Rong; Li, Jun-Long; Zhang, Xiang; Liu, Yan-Qing; Jia, Zhi-Qiang; Leng, Hai-Jun; Huang, Qian-Wei; Liu, Yue; Li, Qing-Zhu Diastereoselective Construction of 6,8-Dioxabicyclo[3.2.1]octane Frameworks from Vinylethylene Carbonates via Palladium-Organo Relay Catalysis ACS Catalysis, 2019, 9, 8256 |
4514838 | CIF | C25 H23 N O2 | P 1 21/c 1 | 18.0757; 14.6438; 7.2015 90; 101.012; 90 | 1871.12 | Zeng, Rong; Li, Jun-Long; Zhang, Xiang; Liu, Yan-Qing; Jia, Zhi-Qiang; Leng, Hai-Jun; Huang, Qian-Wei; Liu, Yue; Li, Qing-Zhu Diastereoselective Construction of 6,8-Dioxabicyclo[3.2.1]octane Frameworks from Vinylethylene Carbonates via Palladium-Organo Relay Catalysis ACS Catalysis, 2019, 9, 8256 |
4514839 | CIF | C21 H26 B N O4 S | P 21 21 21 | 10.4319; 14.2343; 29.1953 90; 90; 90 | 4335.2 | Kim, Jeongho; Shin, Minkyeong; Cho, Seung Hwan Copper-Catalyzed Diastereoselective and Enantioselective Addition of 1,1-Diborylalkanes to Cyclic Ketimines and α-Imino Esters ACS Catalysis, 2019, 9, 8503 |
4514840 | CIF | C21 H26 B N O5 S | P 31 | 9.9417; 9.9417; 18.9939 90; 90; 120 | 1625.8 | Kim, Jeongho; Shin, Minkyeong; Cho, Seung Hwan Copper-Catalyzed Diastereoselective and Enantioselective Addition of 1,1-Diborylalkanes to Cyclic Ketimines and α-Imino Esters ACS Catalysis, 2019, 9, 8503 |
4514841 | CIF | C23 H36 B F3 N2 O6 S | P 21 21 21 | 9.2674; 10.7476; 28.5667 90; 90; 90 | 2845.3 | Kim, Jeongho; Shin, Minkyeong; Cho, Seung Hwan Copper-Catalyzed Diastereoselective and Enantioselective Addition of 1,1-Diborylalkanes to Cyclic Ketimines and α-Imino Esters ACS Catalysis, 2019, 9, 8503 |
4514842 | CIF | C31 H65 K N3 Si6 Y | P -1 | 9.999; 11.964; 19.292 83.01; 85.8; 82.27 | 2266.1 | Zhai, Dan-Dan; Du, Hui-Zhen; Zhang, Xiang-Yu; Liu, Yu-Feng; Guan, Bing-Tao Potassium Yttrium Ate Complexes: Synergistic Effect Enabled Reversible H2 Activation and Catalytic Hydrogenation ACS Catalysis, 2019, 9, 8766 |
4514843 | CIF | C29 H69 K N3 O Si6 Y | P 1 21/c 1 | 11.344; 11.734; 31.997 90; 92.915; 90 | 4253.6 | Zhai, Dan-Dan; Du, Hui-Zhen; Zhang, Xiang-Yu; Liu, Yu-Feng; Guan, Bing-Tao Potassium Yttrium Ate Complexes: Synergistic Effect Enabled Reversible H2 Activation and Catalytic Hydrogenation ACS Catalysis, 2019, 9, 8766 |
4514844 | CIF | C38 H30 F6 N2 O4 Pd S4 | C 1 2/c 1 | 15.336; 10.1947; 24.0955 90; 98.408; 90 | 3726.7 | Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M. Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis ACS Catalysis, 2019, 9, 7626 |
4514845 | CIF | C34 H26 Cl2 F6 N2 O4 Pd S4 | P -1 | 9.0381; 10.3207; 10.3832 68.768; 89.673; 88.327 | 902.4 | Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M. Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis ACS Catalysis, 2019, 9, 7626 |
4514846 | CIF | C17 H15 N O2 S2 | C 1 2/c 1 | 32.753; 4.888; 23.981 90; 124.967; 90 | 3146.2 | Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M. Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis ACS Catalysis, 2019, 9, 7626 |
4514847 | CIF | C22 H23 N O2 S2 | P -1 | 8.6349; 9.3163; 13.5605 70.251; 85.755; 83.165 | 1018.75 | Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M. Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis ACS Catalysis, 2019, 9, 7626 |
4514848 | CIF | C22 H24 O6 | P 1 21/c 1 | 19.271; 4.5166; 23.345 90; 107.803; 90 | 1934.6 | Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M. Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis ACS Catalysis, 2019, 9, 7626 |
4514849 | CIF | C24 H23 N O4 S2 | P 1 21/c 1 | 15.796; 15.246; 9.849 90; 105.81; 90 | 2282.17 | Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M. Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis ACS Catalysis, 2019, 9, 7626 |
4514850 | CIF | C23 H26 O6 | P -1 | 9.7261; 10.89; 11.528 65.75; 69.528; 86.877 | 1037.3 | Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M. Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis ACS Catalysis, 2019, 9, 7626 |
4514851 | CIF | C23 H19 N S2 | P 1 21/n 1 | 10.584; 4.346; 40.473 90; 95.273; 90 | 1853.8 | Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M. Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis ACS Catalysis, 2019, 9, 7626 |
4514852 | CIF | C20 H18 F N O2 S2 | P -1 | 7.0055; 10.2801; 13.131 79.22; 84.888; 80.238 | 913.91 | Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M. Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis ACS Catalysis, 2019, 9, 7626 |
4514853 | CIF | C24 H32 O10 | P 1 21 1 | 11.2; 5.0559; 11.554 90; 115.351; 90 | 591.25 | Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M. Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis ACS Catalysis, 2019, 9, 7626 |
4514854 | CIF | C28 H25 N O4 S2 | P -1 | 8.4844; 12.3314; 12.7997 112.337; 94.171; 98.558 | 1212.59 | Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M. Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis ACS Catalysis, 2019, 9, 7626 |
4514855 | CIF | C19 H16 Cl N O2 S2 | P -1 | 6.5696; 10.4589; 13.1664 79.911; 84.189; 81.356 | 877.96 | Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M. Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis ACS Catalysis, 2019, 9, 7626 |
4514856 | CIF | C23 H19 N O2 S3 | P 1 21/n 1 | 6.9999; 10.6761; 27.063 90; 92.75; 90 | 2020.1 | Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M. Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis ACS Catalysis, 2019, 9, 7626 |
4514857 | CIF | C23 H17 Br N2 | P 1 21 1 | 11.03; 5.7133; 14.591 90; 92.925; 90 | 918.3 | Hatano, Manabu; Nishio, Kosuke; Mochizuki, Takuya; Nishikawa, Keisuke; Ishihara, Kazuaki Highly Active Chiral Dilithium(I) Binaphthyldisulfonate Catalysts for Enantio- and Chemoselective Strecker-Type Reactions ACS Catalysis, 2019, 9, 8178 |
4514858 | CIF | C20 H19 N O3 S | P 1 21/c 1 | 8.2877; 14.334; 14.903 90; 103.09; 90 | 1724.4 | Liu, Jibing; Chakraborty, Pushkin; Zhang, Heng; Zhong, Liang; Wang, Zhi-Xiang; Huang, Xueliang Gold-Catalyzed Atom-Economic Synthesis of Sulfone-Containing Pyrrolo[2,1-a]isoquinolines from Diynamides: Evidence for Consecutive Sulfonyl Migration ACS Catalysis, 2019, 9, 2610 |
4514859 | CIF | C17 H19 N O6 S | P 1 21/c 1 | 7.5531; 28.802; 8.5314 90; 113.57; 90 | 1701.1 | Liu, Jibing; Chakraborty, Pushkin; Zhang, Heng; Zhong, Liang; Wang, Zhi-Xiang; Huang, Xueliang Gold-Catalyzed Atom-Economic Synthesis of Sulfone-Containing Pyrrolo[2,1-a]isoquinolines from Diynamides: Evidence for Consecutive Sulfonyl Migration ACS Catalysis, 2019, 9, 2610 |
4514860 | CIF | C22 H25 I N2 O2 Ru | P -1 | 8.8149; 10.4274; 12.2762 74.663; 83.855; 77.212 | 1059.8 | Kumar, Abhishek; Semwal, Shrivats; Choudhury, Joyanta Catalytic Conversion of CO2 to Formate with Renewable Hydrogen Donors: An Ambient-Pressure and H2-Independent Strategy ACS Catalysis, 2019, 9, 2164 |
4514861 | CIF | C20 H14 Cl N O | P 1 | 8.6566; 11.3426; 16.584 89.235; 77.991; 89.031 | 1592.41 | Fan, Xiaozhong; Zhang, Xue; Li, Chunyu; Gu, Zhenhua Enantioselective Atropisomeric Anilides Synthesis via Cu-Catalyzed Intramolecular Adjacent C‒N Coupling ACS Catalysis, 2019, 9, 2286 |
4514862 | CIF | C28 H32 N2 O2 | P 1 21/c 1 | 13.969; 27.1371; 6.25424 90; 99.738; 90 | 2336.69 | Wu, Xiao; Chen, Chentuo; Guo, Ziyang; North, Michael; Whitwood, Adrian C. Metal- and Halide-Free Catalyst for the Synthesis of Cyclic Carbonates from Epoxides and Carbon Dioxide ACS Catalysis, 2019, 9, 1895 |
4514863 | CIF | C13 H12 Br Mn N2 O4 | P 1 21/c 1 | 11.071; 10.4143; 13.4557 90; 105.015; 90 | 1498.43 | Steinlechner, Christoph; Roesel, Arend F.; Oberem, Elisabeth; Päpcke, Ayla; Rockstroh, Nils; Gloaguen, Frédéric; Lochbrunner, Stefan; Ludwig, Ralf; Spannenberg, Anke; Junge, Henrik; Francke, Robert; Beller, Matthias Selective Earth-Abundant System for CO2 Reduction: Comparing Photo- and Electrocatalytic Processes ACS Catalysis, 2019, 9, 2091 |
4514864 | CIF | C15 H10 Br Mn N2 O4 | P -1 | 7.1769; 9.2213; 11.5716 85.6351; 84.0784; 82.509 | 753.7 | Steinlechner, Christoph; Roesel, Arend F.; Oberem, Elisabeth; Päpcke, Ayla; Rockstroh, Nils; Gloaguen, Frédéric; Lochbrunner, Stefan; Ludwig, Ralf; Spannenberg, Anke; Junge, Henrik; Francke, Robert; Beller, Matthias Selective Earth-Abundant System for CO2 Reduction: Comparing Photo- and Electrocatalytic Processes ACS Catalysis, 2019, 9, 2091 |
4514865 | CIF | C17 H13 Br O3 | P c a 21 | 10.7383; 18.1542; 7.5303 90; 90; 90 | 1468 | Zhang, Cheng; Li, Hongli; Pei, Chao; Qiu, Lihua; Hu, Wenhao; Bao, Xiaoguang; Xu, Xinfang Selective Vinylogous Reactivity of Carbene Intermediate in Gold-Catalyzed Alkyne Carbocyclization: Synthesis of Indenols ACS Catalysis, 2019, 9, 2440 |
4514866 | CIF | C27 H32 O3 | P 1 21 1 | 9.72; 7.5084; 16.171 90; 94.588; 90 | 1176.4 | Zhang, Cheng; Li, Hongli; Pei, Chao; Qiu, Lihua; Hu, Wenhao; Bao, Xiaoguang; Xu, Xinfang Selective Vinylogous Reactivity of Carbene Intermediate in Gold-Catalyzed Alkyne Carbocyclization: Synthesis of Indenols ACS Catalysis, 2019, 9, 2440 |
4514867 | CIF | C18 H12 F3 N3 O3 | P 1 21/c 1 | 10.5383; 19.337; 7.9828 90; 92.029; 90 | 1625.7 | Zhang, Cheng; Li, Hongli; Pei, Chao; Qiu, Lihua; Hu, Wenhao; Bao, Xiaoguang; Xu, Xinfang Selective Vinylogous Reactivity of Carbene Intermediate in Gold-Catalyzed Alkyne Carbocyclization: Synthesis of Indenols ACS Catalysis, 2019, 9, 2440 |
4514868 | CIF | C50 H39 N Ni O P2 | P -1 | 13.3161; 14.0105; 15.2863 72.192; 64.226; 62.74 | 2262.59 | Orsino, Alessio F.; Gutiérrez Del Campo, Manuel; Lutz, Martin; Moret, Marc-Etienne Enhanced Catalytic Activity of Nickel Complexes of an Adaptive Diphosphine-Benzophenone Ligand in Alkyne Cyclotrimerization. ACS catalysis, 2019, 9, 2458-2481 |
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