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 |
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