Crystallography Open Database
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Searching journal of publication like 'ACS catalysis'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 4517828 | CIF | C10 H20 K12 N10 O0 Ru2 Sn18 | C 1 2/c 1 | 15.327; 31.192; 13.692 90; 94.911; 90 | 6522 | Wang, Yanru; Zhang, Chao; Wang, Xiuyi; Guo, Jinqiu; Sun, Zhong-Ming; Zhang, Hongbo Site-Selective CO2 Reduction over Highly Dispersed Ru-SnOx Sites Derived from a [Ru@Sn9]6‒ Zintl Cluster ACS Catalysis, 2020, 7808 |
| 4517829 | CIF | C15 H13 N O | P 1 21 1 | 7.6989; 5.6085; 13.528 90; 92.652; 90 | 583.5 | Mao, Ying; Wang, Zehua; Wang, Gang; Zhao, Ran; Kan, Linglong; Pan, Xiaoguang; Liu, Lei Redox Deracemization of Tertiary Stereocenters Adjacent to an Electron-Withdrawing Group ACS Catalysis, 2020, 7785-7791 |
| 4517830 | CIF | C72 H88 Fe2 N2 Si2 | P 1 21/c 1 | 14.1589; 20.1568; 10.773 90; 96.224; 90 | 3056.5 | Witzke, Ryan J.; Hait, Diptarka; Chakarawet, Khetpakorn; Head-Gordon, Martin; Tilley, T. Don Bimetallic Mechanism for Alkyne Cyclotrimerization with a Two-Coordinate Fe Precatalyst ACS Catalysis, 2020, 7800 |
| 4517831 | CIF | C62 H82 Fe2 N2 O Si2 | P -1 | 12.131; 12.86; 18.9741 89.775; 87.91; 85.741 | 2949.9 | Witzke, Ryan J.; Hait, Diptarka; Chakarawet, Khetpakorn; Head-Gordon, Martin; Tilley, T. Don Bimetallic Mechanism for Alkyne Cyclotrimerization with a Two-Coordinate Fe Precatalyst ACS Catalysis, 2020, 7800 |
| 4517832 | CIF | C21 H36 Fe N Si | P b c n | 22.1414; 11.2865; 17.5402 90; 90; 90 | 4383.3 | Witzke, Ryan J.; Hait, Diptarka; Chakarawet, Khetpakorn; Head-Gordon, Martin; Tilley, T. Don Bimetallic Mechanism for Alkyne Cyclotrimerization with a Two-Coordinate Fe Precatalyst ACS Catalysis, 2020, 7800 |
| 4517836 | CIF | C15 H20 Ir N3 O5 S | P 1 21/c 1 | 8.656; 14.5247; 14.4235 90; 95.387; 90 | 1805.4 | Tensi, Leonardo; Macchioni, Alceo Extremely Fast NADH-Regeneration Using Phosphonic Acid as Hydride Source and Iridium-pyridine-2-sulfonamidate Catalysts ACS Catalysis, 2020, 7945 |
| 4517838 | CIF | C61 H46 O P2 Pd | P 1 21/n 1 | 18.3983; 13.9556; 20.8118 90; 109.351; 90 | 5041.7 | Xiong, Wenfang; Shi, Fuxing; Cheng, Ruixiang; Zhu, Baiyao; Wang, Lu; Chen, Pengquan; Lou, Hongming; Wu, Wanqing; Qi, Chaorong; Lei, Ming; Jiang, Huanfeng Palladium-Catalyzed Highly Regioselective Hydrocarboxylation of Alkynes with Carbon Dioxide ACS Catalysis, 2020, 7968 |
| 4517839 | CIF | C23 H28 O2 | P -1 | 10.0446; 12.2899; 17.0614 76.398; 74.831; 88.404 | 1974.5 | Xiong, Wenfang; Shi, Fuxing; Cheng, Ruixiang; Zhu, Baiyao; Wang, Lu; Chen, Pengquan; Lou, Hongming; Wu, Wanqing; Qi, Chaorong; Lei, Ming; Jiang, Huanfeng Palladium-Catalyzed Highly Regioselective Hydrocarboxylation of Alkynes with Carbon Dioxide ACS Catalysis, 2020, 7968 |
| 4517848 | CIF | C25 H24 N2 O2 Pd | P -1 | 9.3968; 9.484; 11.9025 103.496; 93.933; 90.76 | 1028.55 | Li, Ya; Zhang, Pan; Liu, Yue-Jin; Yu, Zhi-Xiang; Shi, Bing-Feng Remote γ-C(sp3)‒H Alkylation of Aliphatic Carboxamides via an Unexpected Regiodetermining Pd Migration Process: Reaction Development and Mechanistic Study ACS Catalysis, 2020, 8212-8222 |
| 4517849 | CIF | C19 H24 N4 O2 Pd | P 1 21/n 1 | 14.1106; 6.7889; 20.7976 90; 92.295; 90 | 1990.7 | Li, Ya; Zhang, Pan; Liu, Yue-Jin; Yu, Zhi-Xiang; Shi, Bing-Feng Remote γ-C(sp3)‒H Alkylation of Aliphatic Carboxamides via an Unexpected Regiodetermining Pd Migration Process: Reaction Development and Mechanistic Study ACS Catalysis, 2020, 8212-8222 |
| 4517850 | CIF | C20 H18 O2 | P 21 21 21 | 6.53867; 6.85703; 35.6756 90; 90; 90 | 1599.55 | Wang, Shou-Guo; Cramer, Nicolai Asymmetric CpxRh(III)-Catalyzed Acrylic Acid C‒H Functionalization with Allenes Provides Chiral γ-Lactones ACS Catalysis, 2020, 8231-8236 |
| 4517851 | CIF | C25 H23 F N2 O | P 21 21 21 | 9.2261; 9.7377; 22.6198 90; 90; 90 | 2032.19 | Shen, Yang; Shen, Meng-Lan; Wang, Pu-Sheng Light-Mediated Chiral Phosphate Catalysis for Asymmetric Dicarbofunctionalization of Enamides ACS Catalysis, 2020, 8247-8253 |
| 4517857 | CIF | C26 H20 F N3 O2 S | C 1 2/c 1 | 19.9143; 10.6749; 20.1936 90; 92.357; 90 | 4289.2 | Hu, Xinwei; Shao, Youxiang; Xie, Haisheng; Chen, Xin; Chen, Fengjuan; Ke, Zhuofeng; Jiang, Huanfeng; Zeng, Wei Direct Carbon‒Carbon σ Bond Amination of Unstrained Arylalkylketones ACS Catalysis, 2020, 8402-8408 |
| 4517858 | CIF | C26 H21 N3 O2 S | C 1 2/c 1 | 19.925; 10.806; 20.27 90; 92.45; 90 | 4360.3 | Hu, Xinwei; Shao, Youxiang; Xie, Haisheng; Chen, Xin; Chen, Fengjuan; Ke, Zhuofeng; Jiang, Huanfeng; Zeng, Wei Direct Carbon‒Carbon σ Bond Amination of Unstrained Arylalkylketones ACS Catalysis, 2020, 8402-8408 |
| 4517861 | CIF | C26 H40 Hf N2 | P 41 | 9.491; 9.491; 27.7364 90; 90; 90 | 2498.47 | Wallace, Mark A.; Zavalij, Peter Y.; Sita, Lawrence R. Enantioselective Living Coordinative Chain Transfer Polymerization: Production of Optically Active End-Group-Functionalized (+)- or (−)-Poly(methylene-1,3-cyclopentane) via a Homochiral C1-Symmetric Caproamidinate Hafnium Initiator ACS Catalysis, 2020, 8496-8502 |
| 4517862 | CIF | C26 H40 Hf N2 | P 43 | 9.4877; 9.4877; 27.766 90; 90; 90 | 2499.4 | Wallace, Mark A.; Zavalij, Peter Y.; Sita, Lawrence R. Enantioselective Living Coordinative Chain Transfer Polymerization: Production of Optically Active End-Group-Functionalized (+)- or (−)-Poly(methylene-1,3-cyclopentane) via a Homochiral C1-Symmetric Caproamidinate Hafnium Initiator ACS Catalysis, 2020, 8496-8502 |
| 4517870 | CIF | C20 H24 O4 S2 | P 1 21/n 1 | 19.047; 8.804; 24.664 90; 105.975; 90 | 3976.2 | Gadde, Karthik; Mampuys, Pieter; Guidetti, Andrea; Ching, H. Y. Vincent; Herrebout, Wouter A.; Van Doorslaer, Sabine; Abbaspour Tehrani, Kourosch; Maes, Bert U. W. Thiosulfonylation of Unactivated Alkenes with Visible-Light Organic Photocatalysis ACS Catalysis, 2020, 8765-8779 |
| 4517879 | CIF | C75 H109.5 Cl Cr2 N5.5 O5 | P 21 21 21 | 17.0512; 20.0506; 22.7296 90; 90; 90 | 7770.9 | Lipinski, Bryce M.; Walker, Katherine L.; Clayman, Naomi E.; Morris, Lilliana S.; Jugovic, Timothy M. E.; Roessler, Allison G.; Getzler, Yutan D. Y. L.; MacMillan, Samantha N.; Zare, Richard N.; Zimmerman, Paul M.; Waymouth, Robert M.; Coates, Geoffrey W. Mechanistic Study of Isotactic Poly(propylene oxide) Synthesis using a Tethered Bimetallic Chromium Salen Catalyst ACS Catalysis, 2020, 8960-8967 |
| 4517880 | CIF | C44.33 H22 Ni0.44 O17 Zr3 | P 6/m m m | 39.4522; 39.4522; 16.5041 90; 90; 120 | 22246.7 | Wang, Xingjie; Zhang, Xuan; Pandharkar, Riddhish; Lyu, Jiafei; Ray, Debmalya; Yang, Ying; Kato, Satoshi; Liu, Jian; Wasson, Megan C.; Islamoglu, Timur; Li, Zhong; Hupp, Joseph T.; Cramer, Christopher J.; Gagliardi, Laura; Farha, Omar K. Insights into the Structure‒Activity Relationships in Metal‒Organic Framework-Supported Nickel Catalysts for Ethylene Hydrogenation ACS Catalysis, 2020, 8995-9005 |
| 4517881 | CIF | C34 H16 Br2 Ni0.4 O17.3 Zr3 | P 6/m m m | 39.903; 39.903; 12.022 90; 90; 120 | 16577 | Wang, Xingjie; Zhang, Xuan; Pandharkar, Riddhish; Lyu, Jiafei; Ray, Debmalya; Yang, Ying; Kato, Satoshi; Liu, Jian; Wasson, Megan C.; Islamoglu, Timur; Li, Zhong; Hupp, Joseph T.; Cramer, Christopher J.; Gagliardi, Laura; Farha, Omar K. Insights into the Structure‒Activity Relationships in Metal‒Organic Framework-Supported Nickel Catalysts for Ethylene Hydrogenation ACS Catalysis, 2020, 8995-9005 |
| 4517882 | CIF | C10 H7 Ni0.1 O4 Zr0.75 | P m -3 m | 28.2651; 28.2651; 28.2651 90; 90; 90 | 22581.4 | Wang, Xingjie; Zhang, Xuan; Pandharkar, Riddhish; Lyu, Jiafei; Ray, Debmalya; Yang, Ying; Kato, Satoshi; Liu, Jian; Wasson, Megan C.; Islamoglu, Timur; Li, Zhong; Hupp, Joseph T.; Cramer, Christopher J.; Gagliardi, Laura; Farha, Omar K. Insights into the Structure‒Activity Relationships in Metal‒Organic Framework-Supported Nickel Catalysts for Ethylene Hydrogenation ACS Catalysis, 2020, 8995-9005 |
| 4517883 | CIF | C34.8 H16 Br2 Hf3 Ni0.44 O16 | P 6/m m m | 40.4333; 40.4333; 11.4682 90; 90; 120 | 16236.9 | Wang, Xingjie; Zhang, Xuan; Pandharkar, Riddhish; Lyu, Jiafei; Ray, Debmalya; Yang, Ying; Kato, Satoshi; Liu, Jian; Wasson, Megan C.; Islamoglu, Timur; Li, Zhong; Hupp, Joseph T.; Cramer, Christopher J.; Gagliardi, Laura; Farha, Omar K. Insights into the Structure‒Activity Relationships in Metal‒Organic Framework-Supported Nickel Catalysts for Ethylene Hydrogenation ACS Catalysis, 2020, 8995-9005 |
| 4517884 | CIF | C11 H6 Hf0.81 Ni0.16 O4 | P 6/m m m | 39.601; 39.601; 16.4314 90; 90; 120 | 22316 | Wang, Xingjie; Zhang, Xuan; Pandharkar, Riddhish; Lyu, Jiafei; Ray, Debmalya; Yang, Ying; Kato, Satoshi; Liu, Jian; Wasson, Megan C.; Islamoglu, Timur; Li, Zhong; Hupp, Joseph T.; Cramer, Christopher J.; Gagliardi, Laura; Farha, Omar K. Insights into the Structure‒Activity Relationships in Metal‒Organic Framework-Supported Nickel Catalysts for Ethylene Hydrogenation ACS Catalysis, 2020, 8995-9005 |
| 4517890 | CIF | C18 H21 Cl2 N O | P 1 21 1 | 7.6233; 7.8881; 13.5115 90; 91.9018; 90 | 812.04 | Rong, Zi-Qiang; Yu, Zhaoyuan; Weng, Cheng; Yang, Li-Cheng; Lu, Shenci; Lan, Yu; Zhao, Yu Dynamic Kinetic Asymmetric Amination of Alcohols Assisted by Microwave: Stereoconvergent Access to Tetralin- and Indane-Derived Chiral Amines ACS Catalysis, 2020, 9464 |
| 4517967 | CIF | C36 H60 B2 Ir N O4 P2 | P -1 | 14.485; 16.26; 17.548 84.689; 89.852; 71.719 | 3906 | Foley, Bryan J.; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V. Combined Experimental and Computational Studies of the Mechanism of Dehydrogenative Borylation of Terminal Alkynes Catalyzed by PNP Complexes of Iridium ACS Catalysis, 2020, 9824-9836 |
| 4517986 | CIF | C32 H28 Fe2 N4 O5 | P -1 | 10.734; 10.815; 13.738 67.142; 85.858; 73.156 | 1405.06 | Provis-Evans, Cei B.; Lau, Samantha; Krewald, Vera; Webster, Ruth L. Regioselective Alkyne Cyclotrimerization with an In Situ-Generated [Fe(II)H(salen)]·Bpin Catalyst ACS Catalysis, 2020, 10157-10168 |
| 4517987 | CIF | C17 H17 N O2 | P 1 21/c 1 | 11.2862; 9.2093; 13.1111 90; 109.258; 90 | 1286.49 | Zhang, Zhijie; Yi, Dong; Zhang, Min; Wei, Jun; Lu, Ji; Yang, Lin; Wang, Jun; Hao, Na; Pan, Xianchao; Zhang, Shiqi; Wei, Siping; Fu, Qiang Photocatalytic Intramolecular [2 + 2] Cycloaddition of Indole Derivatives via Energy Transfer: A Method for Late-Stage Skeletal Transformation ACS Catalysis, 2020, 10149-10156 |
| 4517988 | CIF | C13 H13 N O | P 1 21/n 1 | 8.31074; 13.9007; 8.8665 90; 96.992; 90 | 1016.69 | Zhang, Zhijie; Yi, Dong; Zhang, Min; Wei, Jun; Lu, Ji; Yang, Lin; Wang, Jun; Hao, Na; Pan, Xianchao; Zhang, Shiqi; Wei, Siping; Fu, Qiang Photocatalytic Intramolecular [2 + 2] Cycloaddition of Indole Derivatives via Energy Transfer: A Method for Late-Stage Skeletal Transformation ACS Catalysis, 2020, 10149-10156 |
| 4517994 | CIF | C27 H34 Si2 | C 1 2/c 1 | 14.963; 12.0779; 28.792 90; 105.06; 90 | 5024.6 | Lv, Weiwei; Liu, Shihan; Chen, Yanhui; Wen, Si; Lan, Yu; Cheng, Guolin Palladium-Catalyzed Intermolecular Trans-Selective Carbofunctionalization of Internal Alkynes to Highly Functionalized Alkenes ACS Catalysis, 2020, 10516 |
| 4517995 | CIF | C30 H28 O2 | P 1 21/n 1 | 11.0772; 15.556; 14.641 90; 110.201; 90 | 2367.7 | Lv, Weiwei; Liu, Shihan; Chen, Yanhui; Wen, Si; Lan, Yu; Cheng, Guolin Palladium-Catalyzed Intermolecular Trans-Selective Carbofunctionalization of Internal Alkynes to Highly Functionalized Alkenes ACS Catalysis, 2020, 10516 |
| 4518014 | CIF | C110 H72 F12 N10 O2 P2 Ru2 | P -1 | 17.1459; 19.6957; 21.0108 93.42; 112.713; 112.979 | 5837.9 | Rajabi, Sheida; Ebrahimi, Fatemeh; Lole, Gaurav; Odrobina, Jann; Dechert, Sebastian; Jooss, Christian; Meyer, Franc Water Oxidizing Diruthenium Electrocatalysts Immobilized on Carbon Nanotubes: Effects of the Number and Positioning of Pyrene Anchors ACS Catalysis, 2020, 10614 |
| 4518015 | CIF | C70.5 H58 F12 N10 O3 P2 Ru2 | P -1 | 14.2194; 20.0432; 26.3213 83.352; 79.323; 87.701 | 7320.9 | Rajabi, Sheida; Ebrahimi, Fatemeh; Lole, Gaurav; Odrobina, Jann; Dechert, Sebastian; Jooss, Christian; Meyer, Franc Water Oxidizing Diruthenium Electrocatalysts Immobilized on Carbon Nanotubes: Effects of the Number and Positioning of Pyrene Anchors ACS Catalysis, 2020, 10614 |
| 4518016 | CIF | C32 H32 N2 O4 S2 | P 1 21/c 1 | 10.9602; 14.7542; 18.1626 90; 94.857; 90 | 2926.5 | Qian, Xiaolin; Zhou, Hui; Chaminda Lakmal, Hetti Handi; Lucore, James; Wang, Xuesong; Valle, Henry U.; Donnadieu, Bruno; Xu, Xue; Cui, Xin Fe(III)-Based Tandem Catalysis for Amidomethylative Multiple Substitution Reactions of α-Substituted Styrene Derivatives ACS Catalysis, 2020, 10627 |
| 4518017 | CIF | C26 H28 N2 O4 S2 | P -1 | 9.95; 10.42; 13.328 73.734; 83.867; 67.198 | 1222.9 | Qian, Xiaolin; Zhou, Hui; Chaminda Lakmal, Hetti Handi; Lucore, James; Wang, Xuesong; Valle, Henry U.; Donnadieu, Bruno; Xu, Xue; Cui, Xin Fe(III)-Based Tandem Catalysis for Amidomethylative Multiple Substitution Reactions of α-Substituted Styrene Derivatives ACS Catalysis, 2020, 10627 |
| 4518020 | CIF | C27 H25 Br O2 | P 1 | 9.6954; 10.1078; 22.4793 97.438; 97.121; 90.238 | 2167.11 | McLeod, David; Izzo, Joseph A.; Jørgensen, Danny K. B.; Lauridsen, Rune F.; Jørgensen, Karl Anker Development and Investigation of an Organocatalytic Enantioselective [10 + 2] Cycloaddition ACS Catalysis, 2020, 10784 |
| 4518021 | CIF | C82 H82 B F24 Li Ni O7 P2 | P -1 | 14.2489; 14.2542; 20.5358 84.356; 86.902; 86.242 | 4137.1 | Tran, Thi V.; Karas, Lucas J.; Wu, Judy I.; Do, Loi H. Elucidating Secondary Metal Cation Effects on Nickel Olefin Polymerization Catalysts ACS Catalysis, 2020, 10760 |
| 4518022 | CIF | C80.5 H85.6 B F24 K Ni O8 P2 | P -1 | 13.151; 13.356; 24.585 86.239; 81.17; 87.895 | 4256.3 | Tran, Thi V.; Karas, Lucas J.; Wu, Judy I.; Do, Loi H. Elucidating Secondary Metal Cation Effects on Nickel Olefin Polymerization Catalysts ACS Catalysis, 2020, 10760 |
| 4518023 | CIF | C76 H68 B Cs F24 Ni O7 P2 | P 1 21/n 1 | 17.3656; 23.606; 20.3261 90; 103.682; 90 | 8095.9 | Tran, Thi V.; Karas, Lucas J.; Wu, Judy I.; Do, Loi H. Elucidating Secondary Metal Cation Effects on Nickel Olefin Polymerization Catalysts ACS Catalysis, 2020, 10760 |
| 4518024 | CIF | C21 H18 N2 | P -1 | 8.9756; 9.0718; 11.0372 84.016; 85.238; 62.683 | 793.5 | Wang, Shengdong; Force, Guillaume; Guillot, Régis; Carpentier, Jean-François; Sarazin, Yann; Bour, Christophe; Gandon, Vincent; Lebœuf, David Lewis Acid/Hexafluoroisopropanol: A Promoter System for Selective ortho-C-Alkylation of Anilines with Deactivated Styrene Derivatives and Unactivated Alkenes ACS Catalysis, 2020, 10794 |
| 4518037 | CIF | C29 H26 N2 O4 S | P 1 21/c 1 | 16.6324; 12.5786; 23.5913 90; 90.5504; 90 | 4935.4 | De, Nirupam; Ko, Donguk; Baek, Seung-yeol; Oh, Changjin; Kim, Jiyoung; Baik, Mu-Hyun; Yoo, Eun Jeong Cu(I)-Catalyzed Enantioselective [5 + 1] Cycloaddition of N-Aromatic Compounds and Alkynes via Chelating-Assisted 1,2-Dearomative Addition ACS Catalysis, 2020, 10905 |
| 4518038 | CIF | C30 H27 Cl N2 O5 S | P 1 21/c 1 | 9.7732; 22.9861; 12.4889 90; 107.777; 90 | 2671.64 | De, Nirupam; Ko, Donguk; Baek, Seung-yeol; Oh, Changjin; Kim, Jiyoung; Baik, Mu-Hyun; Yoo, Eun Jeong Cu(I)-Catalyzed Enantioselective [5 + 1] Cycloaddition of N-Aromatic Compounds and Alkynes via Chelating-Assisted 1,2-Dearomative Addition ACS Catalysis, 2020, 10905 |
| 4518039 | CIF | C27 H26 N4 O6 | P 1 21 1 | 7.25553; 7.4022; 47.0222 90; 92.058; 90 | 2523.79 | Xue, Zaikun; Li, Yao; Luo, Sanzhong Chiral Primary Amine-Catalyzed Divergent Coupling of α-Substituted Acrylaldehydes with α-Diazoesters ACS Catalysis, 2020, 10989 |
| 4518040 | CIF | C1.74 H1.74 O0.35 | P 21 21 21 | 6.4822; 15.0713; 16.8103 90; 90; 90 | 1642.29 | Xue, Zaikun; Li, Yao; Luo, Sanzhong Chiral Primary Amine-Catalyzed Divergent Coupling of α-Substituted Acrylaldehydes with α-Diazoesters ACS Catalysis, 2020, 10989 |
| 4518041 | CIF | C18 H22 B N2 O3 S Si | P -1 | 8.5976; 9.2734; 12.5694 104.461; 99.599; 96.061 | 945.36 | Desrosiers, Vincent; Garcia, Cecilia Zavaleta; Fontaine, Frédéric-Georges Boron Recycling in the Metal-Free Transfer C‒H Borylation of Terminal Alkynes and Heteroarenes ACS Catalysis, 2020, 11046 |
| 4518044 | CIF | C34 H34 Cl N4 O5 P | P -1 | 10.705; 11.4472; 13.9654 97.31; 112.09; 95.568 | 1553.18 | Garrido-González, José J.; Iglesias Aparicio, Ma Mercedes; García, Miguel Martínez; Simón, Luis; Sanz, Francisca; Morán, Joaquín R.; Fuentes de Arriba, Ángel L. An Enzyme Model Which Mimics Chymotrypsin and N-Terminal Hydrolases ACS Catalysis, 2020, 11162 |
| 4518051 | CIF | C11 H21 N O3 | P c a 21 | 9.8601; 5.6544; 44.1243 90; 90; 90 | 2460.06 | Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives ACS Catalysis, 2020, 10, 11365-11370 |
| 4518052 | CIF | C11 H21 N O3 | P b c a | 9.2362; 10.9879; 23.7378 90; 90; 90 | 2409.06 | Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives ACS Catalysis, 2020, 10, 11365-11370 |
| 4518053 | CIF | C12 H16 O | P 1 21/c 1 | 14.6389; 5.303; 13.1361 90; 106.994; 90 | 975.23 | Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives ACS Catalysis, 2020, 10, 11365-11370 |
| 4518054 | CIF | C15 H28 O2 | P 1 21/c 1 | 9.1475; 19.6782; 7.9541 90; 92.11; 90 | 1430.82 | Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives ACS Catalysis, 2020, 10, 11365-11370 |
| 4518056 | CIF | C20 H24 O5 S2 | P b c a | 13.1697; 8.5458; 33.8861 90; 90; 90 | 3813.73 | Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V. Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition ACS Catalysis, 2020, 10, 11448-11457 |
| 4518057 | CIF | C128 H210 O13 | C 1 2 1 | 27.5054; 7.159; 28.9864 90; 91.009; 90 | 5706.86 | Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V. Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition ACS Catalysis, 2020, 10, 11448-11457 |
| 4518058 | CIF | C15 H20 O2 | P 1 21/n 1 | 6.46515; 7.56208; 26.4823 90; 93.8866; 90 | 1291.74 | Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V. Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition ACS Catalysis, 2020, 10, 11448-11457 |
| 4518059 | CIF | C20 H30 B N O4 | P 1 21/c 1 | 13.4325; 9.9472; 15.5089 90; 101.16; 90 | 2033.05 | Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V. Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition ACS Catalysis, 2020, 10, 11448-11457 |
| 4518060 | CIF | C20 H22 F2 O4 S2 | P 1 21/c 1 | 11.66361; 15.02503; 11.25687 90; 97.1362; 90 | 1957.44 | Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V. Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition ACS Catalysis, 2020, 10, 11448-11457 |
| 4518061 | CIF | C37 H56 O3 S | P 1 21 1 | 14.75517; 11.9167; 18.31913 90; 93.7103; 90 | 3214.35 | Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V. Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition ACS Catalysis, 2020, 10, 11448-11457 |
| 4518062 | CIF | C16 H26 O2 | C 1 2/c 1 | 23.988; 6.72515; 18.4587 90; 109.443; 90 | 2808 | Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V. Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition ACS Catalysis, 2020, 10, 11448-11457 |
| 4518064 | CIF | C14 H12 O5 | P 1 21/c 1 | 14.8299; 7.4261; 11.4598 90; 109.078; 90 | 1192.73 | Karlinskii, Bogdan Ya.; Kostyukovich, Alexander Yu.; Kucherov, Fedor A.; Galkin, Konstantin I.; Kozlov, Kirill S.; Ananikov, Valentine P. Directing-Group-Free, Carbonyl Group-Promoted Catalytic C‒H Arylation of Bio-Based Furans ACS Catalysis, 2020, 10, 11466-11480 |
| 4518065 | CIF | C18 H12 O3 | C 1 2/c 1 | 12.3333; 11.1772; 19.7023 90; 101.316; 90 | 2663.2 | Karlinskii, Bogdan Ya.; Kostyukovich, Alexander Yu.; Kucherov, Fedor A.; Galkin, Konstantin I.; Kozlov, Kirill S.; Ananikov, Valentine P. Directing-Group-Free, Carbonyl Group-Promoted Catalytic C‒H Arylation of Bio-Based Furans ACS Catalysis, 2020, 10, 11466-11480 |
| 4518066 | CIF | C13 H7 F3 O3 | P 1 21/c 1 | 11.0065; 13.6364; 7.4223 90; 101.195; 90 | 1092.81 | Karlinskii, Bogdan Ya.; Kostyukovich, Alexander Yu.; Kucherov, Fedor A.; Galkin, Konstantin I.; Kozlov, Kirill S.; Ananikov, Valentine P. Directing-Group-Free, Carbonyl Group-Promoted Catalytic C‒H Arylation of Bio-Based Furans ACS Catalysis, 2020, 10, 11466-11480 |
| 4518081 | CIF | C23 H27.38 Ir N O2.69 | P -1 | 8.2522; 10.6947; 11.645 88.833; 86.13; 88.885 | 1025 | Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination ACS Catalysis, 2020, 11693-11699 |
| 4518082 | CIF | C30 H36 N4 O Si | P -1 | 11.2966; 17.3143; 23.2024 101.869; 102.938; 99.047 | 4228.98 | Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination ACS Catalysis, 2020, 11693-11699 |
| 4518083 | CIF | C32 H44 Ir N Si | P 1 21/n 1 | 11.3222; 18.4507; 14.6046 90; 103.017; 90 | 2972.54 | Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination ACS Catalysis, 2020, 11693-11699 |
| 4518084 | CIF | C22 H28 F N O Si | P 1 21/c 1 | 20.944; 8.1654; 12.3532 90; 97.35; 90 | 2095.24 | Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination ACS Catalysis, 2020, 11693-11699 |
| 4518085 | CIF | C39 H55.66 Cl2 N2 O2.83 Si2 | P -1 | 7.4568; 20.0275; 27.8489 88.958; 84.338; 80.073 | 4076.73 | Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination ACS Catalysis, 2020, 11693-11699 |
| 4518086 | CIF | C26 H31 N O Si | P c a 21 | 24.9365; 11.3131; 8.3785 90; 90; 90 | 2363.65 | Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination ACS Catalysis, 2020, 11693-11699 |
| 4518087 | CIF | C33 H48 F N Si2 | P 1 21 1 | 8.0636; 13.035; 15.6853 90; 96.548; 90 | 1637.91 | Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination ACS Catalysis, 2020, 11693-11699 |
| 4518091 | CIF | C21 H34 Br2 O4 Si | P b c a | 12.8335; 14.5079; 25.395 90; 90; 90 | 4728.22 | Schäfers, Felix; Quach, Linda; Schwarz, J. Luca; Saladrigas, Mar; Daniliuc, Constantin G.; Glorius, Frank Direct Access to Monoprotected Homoallylic 1,2-Diols via Dual Chromium/Photoredox Catalysis ACS Catalysis, 2020, 11841-11847 |
| 4518092 | CIF | C42 H52 F6 Mn N4 O6 S2 | P 21 21 21 | 10.8133; 18.3449; 22.899 90; 90; 90 | 4542.4 | Lin, Jin; Miao, Chengxia; Wang, Fang; Yang, Peiju; Sun, Qiangsheng; Sun, Wei Effect of Ligand Topology on the Reactivity of Chiral Tetradentate Aminopyridine Manganese Complexes ACS Catalysis, 2020, 11857-11863 |
| 4518093 | CIF | C53 H76 Cl2 F6 Mn N4 O9 S2 | P 43 21 2 | 18.048; 18.048; 18.684 90; 90; 90 | 6086 | Lin, Jin; Miao, Chengxia; Wang, Fang; Yang, Peiju; Sun, Qiangsheng; Sun, Wei Effect of Ligand Topology on the Reactivity of Chiral Tetradentate Aminopyridine Manganese Complexes ACS Catalysis, 2020, 11857-11863 |
| 4518094 | CIF | C36 H40 F6 Mn N4 O8 S2 | P 43 21 2 | 15.2678; 15.2678; 17.167 90; 90; 90 | 4001.7 | Lin, Jin; Miao, Chengxia; Wang, Fang; Yang, Peiju; Sun, Qiangsheng; Sun, Wei Effect of Ligand Topology on the Reactivity of Chiral Tetradentate Aminopyridine Manganese Complexes ACS Catalysis, 2020, 11857-11863 |
| 4518095 | CIF | C42 H52 F6 Mn N4 O6 S2 | P 21 21 21 | 10.8038; 18.2978; 22.8902 90; 90; 90 | 4525.1 | Lin, Jin; Miao, Chengxia; Wang, Fang; Yang, Peiju; Sun, Qiangsheng; Sun, Wei Effect of Ligand Topology on the Reactivity of Chiral Tetradentate Aminopyridine Manganese Complexes ACS Catalysis, 2020, 11857-11863 |
| 4518103 | CIF | C25 H25 N O5 | P 1 21 1 | 11.568; 14.8438; 12.2105 90; 94.94; 90 | 2088.91 | Harada, Shingo; Yanagawa, Mai; Nemoto, Tetsuhiro Dual-Functional Enone-Directing Group/Electrophile for Sequential C‒C Bond Formation with α-Diazomalonates: A Short Synthesis of Chiral 3,4-Fused Tricyclic Indoles ACS Catalysis, 2020, 11971-11979 |
| 4518108 | CIF | C14 H18 Br N | P 21 21 21 | 6.4796; 10.8112; 17.4816 90; 90; 90 | 1224.63 | Li, Zhenghua; Zhang, Liang; Nishiura, Masayoshi; Luo, Gen; Luo, Yi; Hou, Zhaomin Enantioselective Cyanoborylation of Allenes by N-Heterocyclic Carbene-Copper Catalysts ACS Catalysis, 2020, 11685-11692 |
| 4518109 | CIF | C5 H8 F N O | P 1 21/c 1 | 10.9416; 5.8946; 8.9783 90; 112.366; 90 | 535.51 | Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation ACS Catalysis, 2020, 12052-12057 |
| 4518110 | CIF | C5 H8 F N O | P 1 21/c 1 | 6.8234; 7.0364; 11.2928 90; 93.296; 90 | 541.29 | Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation ACS Catalysis, 2020, 12052-12057 |
| 4518111 | CIF | C12 H13 F4 N | P b c n | 16.6845; 6.2599; 21.2252 90; 90; 90 | 2216.83 | Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation ACS Catalysis, 2020, 12052-12057 |
| 4518112 | CIF | C13 H14 F4 N2 O | P 1 21/c 1 | 12.8484; 8.4676; 11.8938 90; 95.519; 90 | 1287.99 | Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation ACS Catalysis, 2020, 12052-12057 |
| 4518113 | CIF | C13 H19 F N2 O2 | P 1 21/n 1 | 11.8985; 7.4145; 15.3304 90; 101.584; 90 | 1324.92 | Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation ACS Catalysis, 2020, 12052-12057 |
| 4518114 | CIF | C7 H11 F N2 O | P 1 21/c 1 | 4.7931; 12.9627; 12.803 90; 97.469; 90 | 788.72 | Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation ACS Catalysis, 2020, 12052-12057 |
| 4518115 | CIF | C5 H11 Cl F N | P 1 21 1 | 6.6025; 7.3672; 7.036 90; 90.746; 90 | 342.216 | Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation ACS Catalysis, 2020, 12052-12057 |
| 4518119 | CIF | C47 H51 Al Cl4 N5 O4 P2 Rh | P 1 21/n 1 | 15.4262; 17.0323; 19.6403 90; 111.781; 90 | 4791.96 | Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand ACS Catalysis, 2020, 10, 12223-12228 |
| 4518120 | CIF | C88 H68 Cl14 Ga4 N8 P4 Rh2 | P -1 | 16.4861; 17.1218; 18.1159 102.604; 96.8135; 92.8749 | 4939.85 | Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand ACS Catalysis, 2020, 10, 12223-12228 |
| 4518121 | CIF | C47 H45 Cl7 In2 N3 O2 P2 Rh | P -1 | 12.4389; 13.5826; 15.0995 83.4699; 80.9723; 86.2699 | 2500.25 | Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand ACS Catalysis, 2020, 10, 12223-12228 |
| 4518122 | CIF | C126 H110 Cl12 Ga4 N6 O3 P6 Rh2 | C 1 2/c 1 | 37.4179; 14.6854; 22.6886 90; 90.5378; 90 | 12466.8 | Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand ACS Catalysis, 2020, 10, 12223-12228 |
| 4518130 | CIF | C11 H12 F3 N O2 S | P -1 | 7.1106; 8.8828; 9.8984 77.175; 89.3; 74.07 | 585.4 | Ge, Hangming; Wu, Botao; Liu, Yafei; Wang, Haoyang; Shen, Qilong Synergistic Lewis Acid and Photoredox-Catalyzed Trifluoromethylative Difunctionalization of Alkenes with Selenium Ylide-Based Trifluoromethylating Reagent ACS Catalysis, 2020, 12414-12424 |
| 4518133 | CIF | C57 H37 Al Cl10 N2 O2 | P 1 21/c 1 | 12.236; 21.4326; 20.1723 90; 103.841; 90 | 5136.56 | Hubbell, Aran K.; Lamb, Jessica R.; Klimovica, Kristine; Mulzer, Michael; Shaffer, Timothy D.; MacMillan, Samantha N.; Coates, Geoffrey W. Catalyst-Controlled Regioselective Carbonylation of Isobutylene Oxide to Pivalolactone ACS Catalysis, 2020, 12537-12543 |
| 4518134 | CIF | C96 H86 Al B N2 O7 | P 1 n 1 | 14.16596; 24.26807; 21.69468 90; 95.347; 90 | 7425.75 | Hubbell, Aran K.; Lamb, Jessica R.; Klimovica, Kristine; Mulzer, Michael; Shaffer, Timothy D.; MacMillan, Samantha N.; Coates, Geoffrey W. Catalyst-Controlled Regioselective Carbonylation of Isobutylene Oxide to Pivalolactone ACS Catalysis, 2020, 12537-12543 |
| 4518143 | CIF | C20 H20 N2 O2 | P 1 21/c 1 | 12.058; 9.432; 14.999 90; 104.566; 90 | 1651 | Zhu, Min; Zhang, Xiao; Zheng, Chao; You, Shu-Li Visible-Light-Induced Dearomatization via [2+2] Cycloaddition or 1,5-Hydrogen Atom Transfer: Divergent Reaction Pathways of Transient Diradicals ACS Catalysis, 2020, 12618-12626 |
| 4518144 | CIF | C17 H20 N2 O2 | P 1 21/c 1 | 11.248; 13.4191; 9.9224 90; 96.859; 90 | 1486.95 | Zhu, Min; Zhang, Xiao; Zheng, Chao; You, Shu-Li Visible-Light-Induced Dearomatization via [2+2] Cycloaddition or 1,5-Hydrogen Atom Transfer: Divergent Reaction Pathways of Transient Diradicals ACS Catalysis, 2020, 12618-12626 |
| 4518145 | CIF | C20 H19 Cl N2 O2 | P 1 21/c 1 | 8.425; 13.085; 16.325 90; 104.597; 90 | 1741.6 | Zhu, Min; Zhang, Xiao; Zheng, Chao; You, Shu-Li Visible-Light-Induced Dearomatization via [2+2] Cycloaddition or 1,5-Hydrogen Atom Transfer: Divergent Reaction Pathways of Transient Diradicals ACS Catalysis, 2020, 12618-12626 |
| 4518146 | CIF | C20 H16 Br2 Co N4 | P 1 21/c 1 | 8.567; 14.5739; 15.62 90; 97.596; 90 | 1933.1 | Dorval, Céline; Tricoire, Maxime; Begouin, Jeanne-Marie; Gandon, Vincent; Gosmini, Corinne Cobalt-Catalyzed C(sp2)‒CN Bond Activation: Cross-Electrophile Coupling for Biaryl Formation and Mechanistic Insight ACS Catalysis, 2020, 12819-12827 |
| 4518147 | CIF | C120 H96 Br9 Co4 Mn2 N24 | P 63 2 2 | 13.2935; 13.2935; 40.9 90; 90; 120 | 6259.4 | Dorval, Céline; Tricoire, Maxime; Begouin, Jeanne-Marie; Gandon, Vincent; Gosmini, Corinne Cobalt-Catalyzed C(sp2)‒CN Bond Activation: Cross-Electrophile Coupling for Biaryl Formation and Mechanistic Insight ACS Catalysis, 2020, 12819-12827 |
| 4518163 | CIF | C22 H30 B Fe N | P 21 21 21 | 9.618; 14.2124; 14.4586 90; 90; 90 | 1976.42 | Dong, Wu-Wei; Li, Yi-Nan; Chang, Xin; Shen, Chong; Wang, Chun-Jiang Chiral Ugi-Type Amines: Practical Synthesis, Ligand Development, and Asymmetric Catalysis ACS Catalysis, 2020, 12954-12959 |
| 4518164 | CIF | C27 H27 N O5 | P 1 21/c 1 | 13.9717; 22.3087; 15.064 90; 90.591; 90 | 4695.06 | Sugawara, Masumi; Ohnishi, Rikako; Ezawa, Tetsuya; Akakabe, Mai; Sawamura, Miki; Hojo, Daiki; Hashizume, Daisuke; Sohtome, Yoshihiro; Sodeoka, Mikiko Regiodivergent Oxidative Cross-Coupling of Catechols with Persistent tert-Carbon Radicals ACS Catalysis, 2020, 12770-12782 |
| 4518165 | CIF | C96 H82 B2 F8 O6 P4 Pd2 | P 21 21 21 | 13.7004; 20.3764; 29.3278 90; 90; 90 | 8187.3 | Sugawara, Masumi; Ohnishi, Rikako; Ezawa, Tetsuya; Akakabe, Mai; Sawamura, Miki; Hojo, Daiki; Hashizume, Daisuke; Sohtome, Yoshihiro; Sodeoka, Mikiko Regiodivergent Oxidative Cross-Coupling of Catechols with Persistent tert-Carbon Radicals ACS Catalysis, 2020, 12770-12782 |
| 4518175 | CIF | C24 H42 Cl Ir N O6 P | P -1 | 7.9554; 13.3409; 13.583 108.591; 95.505; 94.138 | 1352 | Dodge, Henry M.; Kita, Matthew R.; Chen, Chun-Hsing; Miller, Alexander J. M. Identifying and Evading Olefin Isomerization Catalyst Deactivation Pathways Resulting from Ion-Tunable Hemilability ACS Catalysis, 2020, 13019-13030 |
| 4518176 | CIF | C97 H72 B2 F48 Ir Li N O5 P | P 1 | 12.8158; 12.8715; 17.2525 80.155; 89.504; 66.413 | 2564.14 | Dodge, Henry M.; Kita, Matthew R.; Chen, Chun-Hsing; Miller, Alexander J. M. Identifying and Evading Olefin Isomerization Catalyst Deactivation Pathways Resulting from Ion-Tunable Hemilability ACS Catalysis, 2020, 13019-13030 |
| 4518181 | CIF | C7 H13 Cl O | P 21 21 21 | 5.24; 6.2805; 23.9605 90; 90; 90 | 788.54 | Venturi, Silvia; Brenna, Elisabetta; Colombo, Danilo; Fraaije, Marco W.; Gatti, Francesco G.; Macchi, Piero; Monti, Daniela; Trajkovic, Milos; Zamboni, Emilio Multienzymatic Stereoselective Reduction of Tetrasubstituted Cyclic Enones to Halohydrins with Three Contiguous Stereogenic Centers ACS Catalysis, 2020, 13050-13057 |
| 4518182 | CIF | C8 H15 Cl O | P 1 21 1 | 6.2973; 5.2861; 12.6948 90; 93.567; 90 | 421.77 | Venturi, Silvia; Brenna, Elisabetta; Colombo, Danilo; Fraaije, Marco W.; Gatti, Francesco G.; Macchi, Piero; Monti, Daniela; Trajkovic, Milos; Zamboni, Emilio Multienzymatic Stereoselective Reduction of Tetrasubstituted Cyclic Enones to Halohydrins with Three Contiguous Stereogenic Centers ACS Catalysis, 2020, 13050-13057 |
| 4518183 | CIF | C9 H15 Cl O2 | P 21 21 21 | 7.2887; 9.0165; 15.2516 90; 90; 90 | 1002.31 | Venturi, Silvia; Brenna, Elisabetta; Colombo, Danilo; Fraaije, Marco W.; Gatti, Francesco G.; Macchi, Piero; Monti, Daniela; Trajkovic, Milos; Zamboni, Emilio Multienzymatic Stereoselective Reduction of Tetrasubstituted Cyclic Enones to Halohydrins with Three Contiguous Stereogenic Centers ACS Catalysis, 2020, 13050-13057 |
| 4518184 | CIF | C10 H16 O2 | P 21 21 21 | 6.1266; 8.4858; 18.3913 90; 90; 90 | 956.15 | Venturi, Silvia; Brenna, Elisabetta; Colombo, Danilo; Fraaije, Marco W.; Gatti, Francesco G.; Macchi, Piero; Monti, Daniela; Trajkovic, Milos; Zamboni, Emilio Multienzymatic Stereoselective Reduction of Tetrasubstituted Cyclic Enones to Halohydrins with Three Contiguous Stereogenic Centers ACS Catalysis, 2020, 13050-13057 |
| 4518185 | CIF | C68 H56 Cl2 Cu2 F8 O2 P4 | P -1 | 13.3478; 14.062; 17.8249 90.177; 93.026; 114.592 | 3036.8 | Kang, Taeho; Erbay, Tuğçe G.; Xu, Kane L.; Gallego, Gary M.; Burtea, Alexander; Nair, Sajiv K.; Patman, Ryan L.; Zhou, Ru; Sutton, Scott C.; McAlpine, Indrawan J.; Liu, Peng; Engle, Keary M. Multifaceted Substrate‒Ligand Interactions Promote the Copper-Catalyzed Hydroboration of Benzylidenecyclobutanes and Related Compounds ACS Catalysis, 2020, 13075-13083 |
| 4518186 | CIF | C80 H64 Cl2 Cu2 F24 O3 P4 | P -1 | 16.4338; 16.5229; 17.2231 69.906; 77.081; 64.824 | 3958.2 | Kang, Taeho; Erbay, Tuğçe G.; Xu, Kane L.; Gallego, Gary M.; Burtea, Alexander; Nair, Sajiv K.; Patman, Ryan L.; Zhou, Ru; Sutton, Scott C.; McAlpine, Indrawan J.; Liu, Peng; Engle, Keary M. Multifaceted Substrate‒Ligand Interactions Promote the Copper-Catalyzed Hydroboration of Benzylidenecyclobutanes and Related Compounds ACS Catalysis, 2020, 13075-13083 |
| 4518195 | CIF | C20 H19 Br N2 O3 | P 21 21 21 | 11.3768; 13.3425; 24.5874 90; 90; 90 | 3732.24 | Harada, Shingo; Kobayashi, Mayu; Kono, Masato; Nemoto, Tetsuhiro Site-Selective and Chemoselective C‒H Functionalization for the Synthesis of Spiroaminals via a Silver-Catalyzed Nitrene Transfer Reaction ACS Catalysis, 2020, 10, 13296-13304 |
| 4518198 | CIF | C20 H24 I N2 Rh | P 1 21/c 1 | 14.0181; 8.46; 16.4369 90; 102.753; 90 | 1901.2 | Sánchez-Page, Beatriz; Munarriz, Julen; Jiménez, M. Victoria; Pérez-Torrente, Jesús J.; Blasco, Javier; Subias, Gloria; Passarelli, Vincenzo; Álvarez, Patricia β-(Z) Selectivity Control by Cyclometalated Rhodium(III)‒Triazolylidene Homogeneous and Heterogeneous Terminal Alkyne Hydrosilylation Catalysts ACS Catalysis, 2020, 10, 13334-13351 |
| 4518199 | CIF | C26 H28 Cl3 I N3 Rh | P 1 21/c 1 | 17.652; 12.0217; 14.0368 90; 113.194; 90 | 2738 | Sánchez-Page, Beatriz; Munarriz, Julen; Jiménez, M. Victoria; Pérez-Torrente, Jesús J.; Blasco, Javier; Subias, Gloria; Passarelli, Vincenzo; Álvarez, Patricia β-(Z) Selectivity Control by Cyclometalated Rhodium(III)‒Triazolylidene Homogeneous and Heterogeneous Terminal Alkyne Hydrosilylation Catalysts ACS Catalysis, 2020, 10, 13334-13351 |
| 4518200 | CIF | C30 H31 N5 Ti | P 43 21 2 | 12.9396; 12.9396; 35.996 90; 90; 90 | 6026.9 | See, Xin Yi; Wen, Xuelan; Wheeler, T. Alexander; Klein, Channing K.; Goodpaster, Jason D.; Reiner, Benjamin R.; Tonks, Ian A. Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis ACS Catalysis, 2020, 10, 13504-13517 |
| 4518201 | CIF | C82.52 H77.04 N10 Ti2 | P 1 21/n 1 | 9.4737; 36.2928; 19.9562 90; 95.112; 90 | 6834.2 | See, Xin Yi; Wen, Xuelan; Wheeler, T. Alexander; Klein, Channing K.; Goodpaster, Jason D.; Reiner, Benjamin R.; Tonks, Ian A. Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis ACS Catalysis, 2020, 10, 13504-13517 |
| 4518202 | CIF | C80 H78 Cl N2 O3 P3 Ti2 | P 1 21/c 1 | 24.117; 15.0952; 20.943 90; 114.01; 90 | 6964.6 | See, Xin Yi; Wen, Xuelan; Wheeler, T. Alexander; Klein, Channing K.; Goodpaster, Jason D.; Reiner, Benjamin R.; Tonks, Ian A. Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis ACS Catalysis, 2020, 10, 13504-13517 |
| 4518203 | CIF | C50 H62 Cl4 N6 Ti2 | P -1 | 9.8644; 12.5071; 12.5128 116.587; 93.947; 112.994 | 1213.89 | See, Xin Yi; Wen, Xuelan; Wheeler, T. Alexander; Klein, Channing K.; Goodpaster, Jason D.; Reiner, Benjamin R.; Tonks, Ian A. Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis ACS Catalysis, 2020, 10, 13504-13517 |
| 4518214 | CIF | C16 H13 Cl2 N S | C 1 c 1 | 11.7514; 13.3298; 9.6736 90; 95.87; 90 | 1507.36 | Su, Yong-Liang; Tram, Linh; Wherritt, Daniel; Arman, Hadi; Griffith, Wendell P.; Doyle, Michael P. α-Amino Radical-Mediated Diverse Difunctionalization of Alkenes: Construction of C‒C, C‒N, and C‒S Bonds ACS Catalysis, 2020, 10, 13682-13687 |
| 4518215 | CIF | C14 H11 Cl2 N S | P 1 21 1 | 7.9208; 5.9641; 13.9611 90; 95.677; 90 | 656.294 | Su, Yong-Liang; Tram, Linh; Wherritt, Daniel; Arman, Hadi; Griffith, Wendell P.; Doyle, Michael P. α-Amino Radical-Mediated Diverse Difunctionalization of Alkenes: Construction of C‒C, C‒N, and C‒S Bonds ACS Catalysis, 2020, 10, 13682-13687 |
| 4518216 | CIF | C81 H90 Br5 N13 Ni4 O3 | P 1 21 1 | 12.1646; 21.938; 16.962 90; 102.835; 90 | 4413.5 | Long, Cheng-Yu; Ni, Shao-Fei; Su, Min-Hui; Wang, Xue-Qiang; Tan, Weihong Highly Chemoselective Access to 2,2′-Diaminobiaryls via Ni-Catalyzed Protecting-Group-Free Coupling of 2-Haloanilines ACS Catalysis, 2020, 10, 13641-13649 |
| 4518242 | CIF | C25 H20 F N O5 S | P 1 21/c 1 | 16.6287; 9.5046; 14.4444 90; 109.835; 90 | 2147.5 | Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis ACS Catalysis, 2020, 14117-14126 |
| 4518243 | CIF | C26 H22 F N O5 S | P -1 | 8.0552; 11.7776; 12.3272 105.882; 95.33; 93.032 | 1116.24 | Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis ACS Catalysis, 2020, 14117-14126 |
| 4518244 | CIF | C26 H22 F3 N O4 S | P c c n | 20.9621; 13.2147; 17.096 90; 90; 90 | 4735.73 | Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis ACS Catalysis, 2020, 14117-14126 |
| 4518245 | CIF | C27.5 H28 F2 N O6.5 S | P 1 21/c 1 | 11.9745; 8.5948; 25.5692 90; 103.368; 90 | 2560.2 | Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis ACS Catalysis, 2020, 14117-14126 |
| 4518246 | CIF | C20 H20 F N O4 S | P c a 21 | 20.8044; 9.0158; 10.0248 90; 90; 90 | 1880.33 | Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis ACS Catalysis, 2020, 14117-14126 |
| 4518247 | CIF | C26 H25 F2 N O4 S | P 1 21/c 1 | 18.2175; 7.7392; 16.7579 90; 102.923; 90 | 2302.83 | Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis ACS Catalysis, 2020, 14117-14126 |
| 4518248 | CIF | C19 H17 N O5 S | P 1 21/n 1 | 8.91; 10.057; 20.0309 90; 102.026; 90 | 1755.53 | Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis ACS Catalysis, 2020, 14117-14126 |
| 4518249 | CIF | C26 H23 F2 N O5 S | P 1 21 1 | 9.9672; 13.3088; 17.6941 90; 97.059; 90 | 2329.36 | Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis ACS Catalysis, 2020, 14117-14126 |
| 4518250 | CIF | C19 H17 F2 N O4 S | P 1 21/n 1 | 8.8969; 10.1294; 20.1617 90; 101.962; 90 | 1777.52 | Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis ACS Catalysis, 2020, 14117-14126 |
| 4518251 | CIF | C25 H20 F3 N O4 S | P 1 21 1 | 9.7433; 7.3884; 15.0351 90; 97.095; 90 | 1074.05 | Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis ACS Catalysis, 2020, 14117-14126 |
| 4518260 | CIF | C24 H24 F3 N O2 S | P 1 21/n 1 | 16.6732; 7.8057; 16.9323 90; 103.9; 90 | 2139.14 | Apolinar, Omar; Tran, Van T.; Kim, Nana; Schmidt, Michael A.; Derosa, Joseph; Engle, Keary M. Sulfonamide Directivity Enables Ni-Catalyzed 1,2-Diarylation of Diverse Alkenyl Amines ACS Catalysis, 2020, 14234-14239 |
| 4518266 | CIF | C12 H15 N O6 | P 1 21 1 | 8.3518; 9.1518; 9.0312 90; 112.947; 90 | 635.67 | Niederer, Kyle A.; Gilmartin, Philip H.; Kozlowski, Marisa C. Oxidative Photocatalytic Homo- and Cross-Coupling of Phenols: Nonenzymatic, Catalytic Method for Coupling Tyrosine ACS Catalysis, 2020, 14615-14623 |
| 4518269 | CIF | C38 H28 P2 | P 1 21/c 1 | 10.5142; 13.9784; 19.3527 90; 100.698; 90 | 2794.9 | Chen, Xiao-Yang; Zhou, Xukai; Wang, Jianchun; Dong, Guangbin FMPhos: Expanding the Catalytic Capacity of Small-Bite-Angle Bisphosphine Ligands in Regioselective Alkene Hydrofunctionalizations ACS Catalysis, 2020, 14349-14358 |
| 4518270 | CIF | C43 H45 Cl2 F6 Fe Mo N3 O6 S2 | P 1 21 1 | 11.4984; 18.3575; 12.3063 90; 115.676; 90 | 2341.1 | Benedikter, Mathis; Musso, Janis; Kesharwani, Manoj K.; Sterz, K. Leonard; Elser, Iris; Ziegler, Felix; Fischer, Felix; Plietker, Bernd; Frey, Wolfgang; Kästner, Johannes; Winkler, Mario; van Slageren, Joris; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael R. Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach ACS Catalysis, 2020, 14810-14823 |
| 4518271 | CIF | C77 H61 B F33 Mo N3 O | P -1 | 12.9087; 16.1499; 20.173 101.303; 101.414; 103.356 | 3879.9 | Benedikter, Mathis; Musso, Janis; Kesharwani, Manoj K.; Sterz, K. Leonard; Elser, Iris; Ziegler, Felix; Fischer, Felix; Plietker, Bernd; Frey, Wolfgang; Kästner, Johannes; Winkler, Mario; van Slageren, Joris; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael R. Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach ACS Catalysis, 2020, 14810-14823 |
| 4518272 | CIF | C75 H59 B F33 Mo N3 O | P -1 | 12.8175; 15.5311; 20.3008 104.613; 96.591; 92.48 | 3873.7 | Benedikter, Mathis; Musso, Janis; Kesharwani, Manoj K.; Sterz, K. Leonard; Elser, Iris; Ziegler, Felix; Fischer, Felix; Plietker, Bernd; Frey, Wolfgang; Kästner, Johannes; Winkler, Mario; van Slageren, Joris; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael R. Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach ACS Catalysis, 2020, 14810-14823 |
| 4518273 | CIF | C77 H58 B Cl2 F33 Mo N4 O | P -1 | 12.8554; 16.2503; 19.8326 105.02; 96.524; 96.704 | 3929.2 | Benedikter, Mathis; Musso, Janis; Kesharwani, Manoj K.; Sterz, K. Leonard; Elser, Iris; Ziegler, Felix; Fischer, Felix; Plietker, Bernd; Frey, Wolfgang; Kästner, Johannes; Winkler, Mario; van Slageren, Joris; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael R. Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach ACS Catalysis, 2020, 14810-14823 |
| 4518274 | CIF | C76 H58.5 B F33 Mo N3.5 O | P -1 | 12.871; 15.3569; 39.432 83.163; 86.32; 89.432 | 7722.7 | Benedikter, Mathis; Musso, Janis; Kesharwani, Manoj K.; Sterz, K. Leonard; Elser, Iris; Ziegler, Felix; Fischer, Felix; Plietker, Bernd; Frey, Wolfgang; Kästner, Johannes; Winkler, Mario; van Slageren, Joris; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael R. Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach ACS Catalysis, 2020, 14810-14823 |
| 4518275 | CIF | C26 H21 F18 Mo N O2 | P 1 21/n 1 | 12.4112; 10.6334; 23.3549 90; 103.504; 90 | 2997 | Benedikter, Mathis; Musso, Janis; Kesharwani, Manoj K.; Sterz, K. Leonard; Elser, Iris; Ziegler, Felix; Fischer, Felix; Plietker, Bernd; Frey, Wolfgang; Kästner, Johannes; Winkler, Mario; van Slageren, Joris; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael R. Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach ACS Catalysis, 2020, 14810-14823 |
| 4518276 | CIF | C8 H8 Cl N O | P 1 21/c 1 | 6.1585; 4.6786; 26.8306 90; 96.26; 90 | 768.46 | Leong, Bi-Xiang; Teo, Yeow-Chuan; Condamines, Cloé; Yang, Ming-Chung; Su, Ming-Der; So, Cheuk-Wai A NHC-Silyliumylidene Cation for Catalytic N-Formylation of Amines Using Carbon Dioxide ACS Catalysis, 2020, 14824-14833 |
| 4518277 | CIF | C8 H9 N O2 | C 1 2/c 1 | 14.8957; 12.8359; 8.415 90; 111.928; 90 | 1492.55 | Leong, Bi-Xiang; Teo, Yeow-Chuan; Condamines, Cloé; Yang, Ming-Chung; Su, Ming-Der; So, Cheuk-Wai A NHC-Silyliumylidene Cation for Catalytic N-Formylation of Amines Using Carbon Dioxide ACS Catalysis, 2020, 14824-14833 |
| 4518278 | CIF | C13 H19 N O | P 61 | 16.8594; 16.8594; 8.3896 90; 90; 120 | 2065.2 | Leong, Bi-Xiang; Teo, Yeow-Chuan; Condamines, Cloé; Yang, Ming-Chung; Su, Ming-Der; So, Cheuk-Wai A NHC-Silyliumylidene Cation for Catalytic N-Formylation of Amines Using Carbon Dioxide ACS Catalysis, 2020, 14824-14833 |
| 4518293 | CIF | C79 H45.5 Br2 F6 I2 O10 | P 1 21 1 | 18.5988; 13.7054; 26.5064 90; 104.133; 90 | 6552.1 | Lai, Junshan; Fianchini, Mauro; Pericàs, Miquel A. Development of Immobilized SPINOL-Derived Chiral Phosphoric Acids for Catalytic Continuous Flow Processes. Use in the Catalytic Desymmetrization of 3,3-Disubstituted Oxetanes ACS Catalysis, 2020, 14971-14983 |
| 4518327 | CIF | C28 H33 B Br N O4 | P -1 | 10.0807; 11.1859; 12.2258 74.6461; 84.2332; 88.2173 | 1322.66 | Nallagonda, Rajender; Karimov, Rashad R. Copper-Catalyzed Regio- and Diastereoselective Additions of Boron-Stabilized Carbanions to Heteroarenium Salts: Synthesis of Azaheterocycles Containing Contiguous Stereocenters ACS Catalysis, 2020, 248-254 |
| 4518328 | CIF | C26 H32 B0 N2 O4 S | P -1 | 9.2929; 11.4055; 12.1564 104.13; 93.917; 90.897 | 1245.86 | Nallagonda, Rajender; Karimov, Rashad R. Copper-Catalyzed Regio- and Diastereoselective Additions of Boron-Stabilized Carbanions to Heteroarenium Salts: Synthesis of Azaheterocycles Containing Contiguous Stereocenters ACS Catalysis, 2020, 248-254 |
| 4518332 | CIF | C31 H29 N O2 S | P b c a | 13.793; 18.478; 20.113 90; 90; 90 | 5126.1 | Zhong, Long-Jin; Li, Yang; An, De-Lie; Li, Jin-Heng Heteroannulation of N-Fluoro-N-alkylsulfonamides with Terminal Alkynes via Remote C(sp3)‒H Functionalization ACS Catalysis, 2020, 383-389 |
| 4518334 | CIF | C35 H26 F16 Ir N6 O P | P 1 21/n 1 | 13.6349; 13.8194; 20.9311 90; 96.357; 90 | 3919.7 | He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization ACS Catalysis, 2020, 446-455 |
| 4518335 | CIF | C37 H20 F16 Ir N6 P | P 1 21/c 1 | 13.4456; 15.4907; 19.3081 90; 108.084; 90 | 3822.9 | He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization ACS Catalysis, 2020, 446-455 |
| 4518336 | CIF | C32 H16 F10 Ir N5 | C 1 2/n 1 | 19.625; 17.8886; 17.9372 90; 93.187; 90 | 6287.4 | He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization ACS Catalysis, 2020, 446-455 |
| 4518337 | CIF | C18 H15 N O3 S2 | P 1 21/n 1 | 10.5004; 9.9404; 16.6691 90; 106.602; 90 | 1667.36 | He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization ACS Catalysis, 2020, 446-455 |
| 4518338 | CIF | C38 H21 F16 Ir N5 P | C 1 2/c 1 | 20.2832; 20.7079; 18.8839 90; 107.83; 90 | 7550.7 | He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization ACS Catalysis, 2020, 446-455 |
| 4518339 | CIF | C23 H18 N2 O2 | P -1 | 5.221; 12.037; 14.359 78.97; 84.119; 87.601 | 880.8 | He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization ACS Catalysis, 2020, 446-455 |
| 4518340 | CIF | C38 H21 F16 Ir N5 P | C 1 2/c 1 | 20.3077; 20.7973; 18.9412 90; 107.616; 90 | 7624.6 | He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization ACS Catalysis, 2020, 446-455 |
| 4518341 | CIF | C12 H14 O2 | C 1 2/c 1 | 15.2075; 6.9155; 20.9784 90; 110.663; 90 | 2064.3 | Nguyen, Kevin; Clement, Helen A.; Bernier, Louise; Coe, Jotham W.; Farrell, William; Helal, Christopher J.; Reese, Matthew R.; Sach, Neal W.; Lee, Jack C.; Hall, Dennis G. Catalytic Enantioselective Synthesis of a cis-β-Boronyl Cyclobutylcarboxyester Scaffold and Its Highly Diastereoselective Nickel/Photoredox Dual-Catalyzed Csp3‒Csp2 Cross-Coupling to Access Elusive trans-β-Aryl/Heteroaryl Cyclobutylcarboxyesters ACS Catalysis, 2020, 404-413 |
| 4518342 | CIF | C18 H15 B Br2 F3 K O2 | P 21 21 2 | 20.0712; 30.159; 6.8657 90; 90; 90 | 4156 | Nguyen, Kevin; Clement, Helen A.; Bernier, Louise; Coe, Jotham W.; Farrell, William; Helal, Christopher J.; Reese, Matthew R.; Sach, Neal W.; Lee, Jack C.; Hall, Dennis G. Catalytic Enantioselective Synthesis of a cis-β-Boronyl Cyclobutylcarboxyester Scaffold and Its Highly Diastereoselective Nickel/Photoredox Dual-Catalyzed Csp3‒Csp2 Cross-Coupling to Access Elusive trans-β-Aryl/Heteroaryl Cyclobutylcarboxyesters ACS Catalysis, 2020, 404-413 |
| 4518343 | CIF | C31 H35 B O5 | P 21 21 21 | 9.1022; 11.2466; 27.186 90; 90; 90 | 2783 | Nguyen, Kevin; Clement, Helen A.; Bernier, Louise; Coe, Jotham W.; Farrell, William; Helal, Christopher J.; Reese, Matthew R.; Sach, Neal W.; Lee, Jack C.; Hall, Dennis G. Catalytic Enantioselective Synthesis of a cis-β-Boronyl Cyclobutylcarboxyester Scaffold and Its Highly Diastereoselective Nickel/Photoredox Dual-Catalyzed Csp3‒Csp2 Cross-Coupling to Access Elusive trans-β-Aryl/Heteroaryl Cyclobutylcarboxyesters ACS Catalysis, 2020, 404-413 |
| 4518345 | CIF | C118 H75 Cl18 F12 N4 O16.5 Rh2 S8 | C 1 2 1 | 30.933; 17.5225; 24.1606 90; 92.0449; 90 | 13087.3 | Murai, Takuya; Lu, Wenjie; Kuribayashi, Toshifumi; Morisaki, Kazuhiro; Ueda, Yoshihiro; Hamada, Shohei; Kobayashi, Yusuke; Sasamori, Takahiro; Tokitoh, Norihiro; Kawabata, Takeo; Furuta, Takumi Conformational Control in Dirhodium(II) Paddlewheel Catalysts Supported by Chalcogen-Bonding Interactions for Stereoselective Intramolecular C‒H Insertion Reactions ACS Catalysis, 2020, 568-578 |
| 4518346 | CIF | C98 H66 Cl6 F12 N4 O14 Rh2 | P 21 21 21 | 14.4646; 23.7613; 26.3686 90; 90; 90 | 9062.8 | Murai, Takuya; Lu, Wenjie; Kuribayashi, Toshifumi; Morisaki, Kazuhiro; Ueda, Yoshihiro; Hamada, Shohei; Kobayashi, Yusuke; Sasamori, Takahiro; Tokitoh, Norihiro; Kawabata, Takeo; Furuta, Takumi Conformational Control in Dirhodium(II) Paddlewheel Catalysts Supported by Chalcogen-Bonding Interactions for Stereoselective Intramolecular C‒H Insertion Reactions ACS Catalysis, 2020, 568-578 |
| 4518347 | CIF | C110 H94 N10 O16 Rh2 | P 1 | 10.4116; 15.2831; 16.3622 71.608; 89.077; 85.189 | 2461.74 | Murai, Takuya; Lu, Wenjie; Kuribayashi, Toshifumi; Morisaki, Kazuhiro; Ueda, Yoshihiro; Hamada, Shohei; Kobayashi, Yusuke; Sasamori, Takahiro; Tokitoh, Norihiro; Kawabata, Takeo; Furuta, Takumi Conformational Control in Dirhodium(II) Paddlewheel Catalysts Supported by Chalcogen-Bonding Interactions for Stereoselective Intramolecular C‒H Insertion Reactions ACS Catalysis, 2020, 568-578 |
| 4518363 | CIF | C29.5 H23 Cl F12 Fe N6 O P2 | C 1 2/c 1 | 20.0016; 18.5063; 18.5977 90; 105.98; 90 | 6618 | Gonell, Sergio; Lloret-Fillol, Julio; Miller, Alexander J. M. An Iron Pyridyl-Carbene Electrocatalyst for Low Overpotential CO2 Reduction to CO ACS Catalysis, 2020, 615-626 |
| 4518364 | CIF | C31 H27 Cl2 F12.43 Fe N7 P2 | P 1 21/n 1 | 13.7127; 17.4292; 16.0993 90; 107.938; 90 | 3660.72 | Gonell, Sergio; Lloret-Fillol, Julio; Miller, Alexander J. M. An Iron Pyridyl-Carbene Electrocatalyst for Low Overpotential CO2 Reduction to CO ACS Catalysis, 2020, 615-626 |
| 4518384 | CIF | C44 H54 Cl2 N O3 P Ru | C 1 c 1 | 16.577; 15.944; 15.596 90; 99.187; 90 | 4069.2 | Eivgi, Or; Vaisman, Anna; Lemcoff, N. Gabriel Latent, Yet Highly Active Photoswitchable Olefin Metathesis Precatalysts Bearing Cyclic Alkyl Amino Carbene (CAAC)/Phosphite Ligands ACS Catalysis, 2020, 703-709 |
| 4518385 | CIF | C59 H60 Cl2 N O3 P Ru | P 1 21/n 1 | 12.6005; 18.784; 21.757 90; 101.619; 90 | 5044.1 | Eivgi, Or; Vaisman, Anna; Lemcoff, N. Gabriel Latent, Yet Highly Active Photoswitchable Olefin Metathesis Precatalysts Bearing Cyclic Alkyl Amino Carbene (CAAC)/Phosphite Ligands ACS Catalysis, 2020, 703-709 |
| 4518406 | CIF | C18 H15 N O3 | P 1 21/c 1 | 6.7743; 23.418; 8.802 90; 101.248; 90 | 1369.5 | Xin, Luoting; Wan, Wan; Yu, Yinghua; Wan, Qiuling; Ma, Liyao; Huang, Xueliang Construction of Protoberberine Alkaloid Core through Palladium Carbene Bridging C‒H Bond Functionalization and Pyridine Dearomatization ACS Catalysis, 2021, 1570-1577 |
| 4518407 | CIF | C25 H25 B0 F0 N O2 | P 21 21 21 | 7.1212; 13.75566; 18.96034 90; 90; 90 | 1857.29 | Xin, Luoting; Wan, Wan; Yu, Yinghua; Wan, Qiuling; Ma, Liyao; Huang, Xueliang Construction of Protoberberine Alkaloid Core through Palladium Carbene Bridging C‒H Bond Functionalization and Pyridine Dearomatization ACS Catalysis, 2021, 1570-1577 |
| 4518411 | CIF | C27 H30 N2 O5 S2 | P -1 | 9.172; 11.675; 12.09 91.099; 93.667; 105.21 | 1245.9 | Zhu, Bo-Han; Zhang, Ying-Qi; Xu, Hao-Jin; Li, Long; Deng, Guo-Cheng; Qian, Peng-Cheng; Deng, Chao; Ye, Long-Wu Regio- and Stereoselective Synthesis of Diverse 3,4-Dihydro-2-quinolones through Catalytic Hydrative Cyclization of Imine- and Carbonyl-Ynamides with Water ACS Catalysis, 2021, 1706-1713 |
| 4518412 | CIF | C52 H52 Br2 F2 N4 O8 S4 | P 1 21 1 | 12.9016; 9.0322; 12.9338 90; 105.257; 90 | 1454.05 | Zhu, Bo-Han; Zhang, Ying-Qi; Xu, Hao-Jin; Li, Long; Deng, Guo-Cheng; Qian, Peng-Cheng; Deng, Chao; Ye, Long-Wu Regio- and Stereoselective Synthesis of Diverse 3,4-Dihydro-2-quinolones through Catalytic Hydrative Cyclization of Imine- and Carbonyl-Ynamides with Water ACS Catalysis, 2021, 1706-1713 |
| 4518413 | CIF | C27 H30 Cl2 N2 O4 S2 | P 21 21 21 | 9.35619; 16.99; 17.21824 90; 90; 90 | 2737.04 | Zhu, Bo-Han; Zhang, Ying-Qi; Xu, Hao-Jin; Li, Long; Deng, Guo-Cheng; Qian, Peng-Cheng; Deng, Chao; Ye, Long-Wu Regio- and Stereoselective Synthesis of Diverse 3,4-Dihydro-2-quinolones through Catalytic Hydrative Cyclization of Imine- and Carbonyl-Ynamides with Water ACS Catalysis, 2021, 1706-1713 |
| 4518414 | CIF | C22.5 H19 Br Cl N O4 S | P -1 | 12.185; 12.529; 14.695 82.566; 83.909; 87.659 | 2211.2 | Zhu, Bo-Han; Zhang, Ying-Qi; Xu, Hao-Jin; Li, Long; Deng, Guo-Cheng; Qian, Peng-Cheng; Deng, Chao; Ye, Long-Wu Regio- and Stereoselective Synthesis of Diverse 3,4-Dihydro-2-quinolones through Catalytic Hydrative Cyclization of Imine- and Carbonyl-Ynamides with Water ACS Catalysis, 2021, 1706-1713 |
| 4518420 | CIF | C25 H30 N2 O9 | P 21 21 21 | 9.9196; 11.7763; 21.4011 90; 90; 90 | 2499.99 | Ghouilem, Juba; Tran, Christine; Grimblat, Nicolas; Retailleau, Pascal; Alami, Mouad; Gandon, Vincent; Messaoudi, Samir Diastereoselective Pd-Catalyzed Anomeric C(sp3)‒H Activation: Synthesis of α-(Hetero)aryl C-Glycosides ACS Catalysis, 2021, 1818-1826 |
| 4518421 | CIF | C25 H30 N2 O6 | P 21 21 21 | 10.0246; 11.6273; 21.2713 90; 90; 90 | 2479.36 | Ghouilem, Juba; Tran, Christine; Grimblat, Nicolas; Retailleau, Pascal; Alami, Mouad; Gandon, Vincent; Messaoudi, Samir Diastereoselective Pd-Catalyzed Anomeric C(sp3)‒H Activation: Synthesis of α-(Hetero)aryl C-Glycosides ACS Catalysis, 2021, 1818-1826 |
| 4518422 | CIF | C19 H19 N O4 S | P 21 21 21 | 8.4774; 10.9811; 18.1554 90; 90; 90 | 1690.11 | Liang, Ren-Xiao; Zhong, Chao; Liu, Zhi-Hong; Yang, Miao; Tang, Heng-Wei; Chen, Jian-Fei; Yang, Yun-Fang; Jia, Yi-Xia Enantioselective Arylation of Tetrasubstituted Enamines: Access to Enantioenriched Indolenine and 1H-Indole Derivatives ACS Catalysis, 2021, 1827-1832 |
| 4518423 | CIF | C23 H27 N O4 S | P 65 | 9.7067; 9.7067; 39.2119 90; 90; 120 | 3199.57 | Liang, Ren-Xiao; Zhong, Chao; Liu, Zhi-Hong; Yang, Miao; Tang, Heng-Wei; Chen, Jian-Fei; Yang, Yun-Fang; Jia, Yi-Xia Enantioselective Arylation of Tetrasubstituted Enamines: Access to Enantioenriched Indolenine and 1H-Indole Derivatives ACS Catalysis, 2021, 1827-1832 |
| 4518426 | CIF | C32 H34 O4 Si | P 1 21/c 1 | 9.4521; 26.2261; 11.8032 90; 103.62; 90 | 2843.6 | Ni, Dongshun; Brown, M. Kevin Three-Component Ni-Catalyzed Silylacylation of Alkenes ACS Catalysis, 2021, 1858-1862 |
| 4518429 | CIF | C34 H29 Cl3 O6 | P 1 21/c 1 | 10.1057; 12.677; 24.493 90; 98.332; 90 | 3104.7 | Koshikawa, Takumi; Nagashima, Yuki; Tanaka, Ken Gold-Catalyzed [3 + 2] Annulation, Carbenoid Transfer, and C‒H Insertion Cascade: Elucidation of Annulation Mechanisms via Benzopyrylium Intermediates ACS Catalysis, 2021, 1932-1937 |
| 4518430 | CIF | C48 H52 Cl4 N2 O Ru Si | P n a 21 | 15.2754; 28.119; 10.416 90; 90; 90 | 4474 | Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis, 2021, 11, 1977-1987 |
| 4518431 | CIF | C43 H51 Cl4 N3 O3 Ru S | P 1 21/n 1 | 13.6581; 10.7783; 30.3452 90; 96.306; 90 | 4440.1 | Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis, 2021, 11, 1977-1987 |
| 4518432 | CIF | C41 H47 Cl4 N3 O2 Ru S | P b c a | 21.747; 16.485; 23.171 90; 90; 90 | 8307 | Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis, 2021, 11, 1977-1987 |
| 4518433 | CIF | C55 H67 Cl2 N3 O6 Ru S | P -1 | 11.0039; 12.6857; 20.649 101.995; 101.394; 106.335 | 2603.1 | Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis, 2021, 11, 1977-1987 |
| 4518434 | CIF | C42 H44 Cl2 Fe N2 Ru | P -1 | 12.269; 13.206; 13.74 103.978; 96.479; 116.864 | 1862.7 | Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis, 2021, 11, 1977-1987 |
| 4518435 | CIF | C59 H75 Cl4 N3 O7 Ru S | P -1 | 12.58; 13.814; 19.537 90.61; 105.904; 113.609 | 2963.8 | Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis, 2021, 11, 1977-1987 |
| 4518436 | CIF | C48 H51 Cl2 N4 O4 Ru S2 | P 1 21/n 1 | 11.6701; 29.6716; 13.7738 90; 93.446; 90 | 4760.8 | Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis, 2021, 11, 1977-1987 |
| 4518437 | CIF | C41 H52 Cl2 N2 O Ru | P -1 | 10.2526; 12.923; 14.9304 75.27; 77.074; 87.61 | 1864.5 | Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis, 2021, 11, 1977-1987 |
| 4518438 | CIF | C40 H45 Cl4 N3 O2 Ru S | P 1 21/c 1 | 8.471; 26.951; 18.341 90; 97.843; 90 | 4148 | Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis, 2021, 11, 1977-1987 |
| 4518439 | CIF | C46 H55 Cl6 N3 O2 Ru S | P 1 21/n 1 | 15.3127; 13.8064; 22.985 90; 91.3; 90 | 4858.1 | Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis, 2021, 11, 1977-1987 |
| 4518440 | CIF | C43 H51 Cl4 N3 O3 Ru S | P 1 21/n 1 | 13.3662; 19.3514; 18.2778 90; 107.451; 90 | 4510 | Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis, 2021, 11, 1977-1987 |
| 4518441 | CIF | C75 H78 Cl10 N6 O4 Ru2 | P 1 21/n 1 | 19.5436; 16.2686; 25.2292 90; 92.134; 90 | 8016 | Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis, 2021, 11, 1977-1987 |
| 4518442 | CIF | C38 H46 Cl2 N2 Ru | P 1 21 1 | 11.9816; 10.5576; 13.8098 90; 93.972; 90 | 1742.7 | Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis, 2021, 11, 1977-1987 |
| 4518443 | CIF | C41 H42 Cl2 N3 O3 Ru S | P 1 21/c 1 | 10.9001; 16.3943; 21.6403 90; 98.664; 90 | 3823 | Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis, 2021, 11, 1977-1987 |
| 4518444 | CIF | C48 H57 Cl2 N3 O3 Ru S | P 1 21/c 1 | 12.6853; 12.842; 32.754 90; 96.636; 90 | 5300 | Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis, 2021, 11, 1977-1987 |
| 4518456 | CIF | C26 H49 Co P2 | P -1 | 10.482; 11.48; 12.182 109.71; 102.2; 98.68 | 1308.9 | Kim, Yeong Bum; Kim, Dongwook; Dighe, Shashikant U.; Chang, Sukbok; Park, Jung-Woo Cobalt-Hydride-Catalyzed Hydrosilylation of 3-Alkynes Accompanying π-Bond Migration ACS Catalysis, 2021, 1548-1553 |
| 4518457 | CIF | C29 H53 Co P2 | P 1 21/n 1 | 9.289; 9.1; 16.695 90; 91.33; 90 | 1410.8 | Kim, Yeong Bum; Kim, Dongwook; Dighe, Shashikant U.; Chang, Sukbok; Park, Jung-Woo Cobalt-Hydride-Catalyzed Hydrosilylation of 3-Alkynes Accompanying π-Bond Migration ACS Catalysis, 2021, 1548-1553 |
| 4518458 | CIF | C52 H49 Co P4 | P 1 21/n 1 | 9.8781; 20.7751; 20.9768 90; 92.271; 90 | 4301.4 | Kim, Yeong Bum; Kim, Dongwook; Dighe, Shashikant U.; Chang, Sukbok; Park, Jung-Woo Cobalt-Hydride-Catalyzed Hydrosilylation of 3-Alkynes Accompanying π-Bond Migration ACS Catalysis, 2021, 1548-1553 |
| 4518459 | CIF | C26 H48 Co I2 P2 | P 21 21 21 | 9.1792; 13.8808; 23.1857 90; 90; 90 | 2954.2 | Kim, Yeong Bum; Kim, Dongwook; Dighe, Shashikant U.; Chang, Sukbok; Park, Jung-Woo Cobalt-Hydride-Catalyzed Hydrosilylation of 3-Alkynes Accompanying π-Bond Migration ACS Catalysis, 2021, 1548-1553 |
| 4518460 | CIF | C37 H35 F N2 O7 | P 21 21 21 | 16.485; 24.296; 24.715 90; 90; 90 | 9899 | Tang, Xiaodong; Tan, Chuan Xiang Alvin; Chan, Wai-Lun; Zhang, Fuhao; Zheng, Wenrui; Lu, Yixin Dielectrophilic Allenic Ketone-Enabled [4 + 2] Annulation with 3,3’-Bisoxindoles: Enantioselective Creation of Two Contiguous Quaternary Stereogenic Centers ACS Catalysis, 2021, 1361-1367 |
| 4518461 | CIF | C14 H15 N O | P 1 21/n 1 | 13.9071; 9.5864; 16.966 90; 100.194; 90 | 2226.2 | Mo, Jiayu; Messinis, Antonis M.; Oliveira, João C. A.; Demeshko, Serhiy; Meyer, Franc; Ackermann, Lutz Iron-Catalyzed Triazole-Enabled C‒H Activation with Bicyclopropylidenes ACS Catalysis, 2021, 1053-1064 |
| 4518462 | CIF | C36 H51 Br O2 | P 21 21 21 | 5.781; 9.7023; 56.176 90; 90; 90 | 3150.9 | Dang, Hang T.; Nguyen, Viet D.; Haug, Graham C.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V. Z-Selective Dienylation Enables Stereodivergent Construction of Dienes and Unravels a Ligand-Driven Mechanistic Dichotomy ACS Catalysis, 2021, 1042-1052 |
| 4518463 | CIF | C11 H9 N | P 21 21 21 | 4.6608; 8.0082; 22.8683 90; 90; 90 | 853.55 | Dang, Hang T.; Nguyen, Viet D.; Haug, Graham C.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V. Z-Selective Dienylation Enables Stereodivergent Construction of Dienes and Unravels a Ligand-Driven Mechanistic Dichotomy ACS Catalysis, 2021, 1042-1052 |
| 4518464 | CIF | C15 H11 N | P 1 21/n 1 | 10.3922; 8.5924; 13.4648 90; 112.087; 90 | 1114.09 | Dang, Hang T.; Nguyen, Viet D.; Haug, Graham C.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V. Z-Selective Dienylation Enables Stereodivergent Construction of Dienes and Unravels a Ligand-Driven Mechanistic Dichotomy ACS Catalysis, 2021, 1042-1052 |
| 4518465 | CIF | C13 H10 O2 | P 1 21/c 1 | 11.807; 11.5282; 7.74435 90; 108.688; 90 | 998.54 | Dang, Hang T.; Nguyen, Viet D.; Haug, Graham C.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V. Z-Selective Dienylation Enables Stereodivergent Construction of Dienes and Unravels a Ligand-Driven Mechanistic Dichotomy ACS Catalysis, 2021, 1042-1052 |
| 4518466 | CIF | C12 H10 N2 | P 1 21/c 1 | 16.6487; 5.1944; 11.2609 90; 101.125; 90 | 955.54 | Dang, Hang T.; Nguyen, Viet D.; Haug, Graham C.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V. Z-Selective Dienylation Enables Stereodivergent Construction of Dienes and Unravels a Ligand-Driven Mechanistic Dichotomy ACS Catalysis, 2021, 1042-1052 |
| 4518467 | CIF | C63 H98 Ag2 O6 P2 | P b c a | 16.8262; 19.3356; 41.108 90; 90; 90 | 13374.3 | Tlahuext-Aca, Adrian; Hartwig, John F. Site-Selective Silver-Catalyzed C‒H Bond Deuteration of Five-Membered Aromatic Heterocycles and Pharmaceuticals ACS Catalysis, 2021, 1119-1127 |
| 4518468 | CIF | C18 H17 N O S2 | P 1 21/n 1 | 5.591; 21.778; 12.608 90; 99.18; 90 | 1515.5 | Wang, Rong-Hua; Li, Jiang-Fei; Li, Yue; Qi, Shao-Long; Zhang, Tao; Luan, Yu-Xin; Ye, Mengchun Selective C(sp3)‒H Cleavage of Enamides for Synthesis of 2-Pyridones via Ligand-Enabled Ni‒Al Bimetallic Catalysis ACS Catalysis, 2021, 11, 858-864 |
| 4518469 | CIF | C32 H40 I N3 O5 S | P 1 21 1 | 12.5558; 12.2352; 21.214 90; 91.478; 90 | 3257.9 | Zhang, Yueteng; Ji, Peng; Gao, Feng; Huang, He; Zeng, Fanxun; Wang, Wei Photoredox Asymmetric Nucleophilic Dearomatization of Indoles with Neutral Radicals ACS Catalysis, 2021, 11, 998-1007 |
| 4518470 | CIF | C27 H28 N2 O5 S | C 1 2 1 | 22.7379; 7.3689; 14.3911 90; 91.61; 90 | 2410.3 | Zhang, Yueteng; Ji, Peng; Gao, Feng; Huang, He; Zeng, Fanxun; Wang, Wei Photoredox Asymmetric Nucleophilic Dearomatization of Indoles with Neutral Radicals ACS Catalysis, 2021, 11, 998-1007 |
| 4518471 | CIF | C19 H2 B F13 | P 1 21/a 1 | 9.912; 17.662; 10.435 90; 114.281; 90 | 1665.2 | Nakashima, Tomoya; Nakayama, Yuushou; Shiono, Takeshi; Tanaka, Ryo Neutral, Noncoordinating, and Hydrocarbon-Soluble Protic Cocatalyst for Olefin Polymerization ACS Catalysis, 2021, 11, 865-870 |
| 4518472 | CIF | C13 H3 B F8 O | P 1 21/c 1 | 16.0009; 4.7685; 16.6499 90; 116.991; 90 | 1132.02 | Nakashima, Tomoya; Nakayama, Yuushou; Shiono, Takeshi; Tanaka, Ryo Neutral, Noncoordinating, and Hydrocarbon-Soluble Protic Cocatalyst for Olefin Polymerization ACS Catalysis, 2021, 11, 865-870 |
| 4518473 | CIF | C15 H8 F8 Sn | P 1 21/m 1 | 7.1648; 12.225; 8.905 90; 110.083; 90 | 732.6 | Nakashima, Tomoya; Nakayama, Yuushou; Shiono, Takeshi; Tanaka, Ryo Neutral, Noncoordinating, and Hydrocarbon-Soluble Protic Cocatalyst for Olefin Polymerization ACS Catalysis, 2021, 11, 865-870 |
| 4518474 | CIF | C13 H19 N O4 | P 1 21/c 1 | 11.6772; 13.7805; 16.5498 90; 90.116; 90 | 2663.1 | Kang, Guowei; Romo, Daniel Photocatalyzed, β-Selective Hydrocarboxylation of α,β-Unsaturated Esters with CO2 under Flow for β-Lactone Synthesis ACS Catalysis, 2021, 1309-1315 |
| 4518475 | CIF | C32 H52 O4 | P 1 21 1 | 8.579; 9.584; 36.054 90; 94.669; 90 | 2954.6 | Kang, Guowei; Romo, Daniel Photocatalyzed, β-Selective Hydrocarboxylation of α,β-Unsaturated Esters with CO2 under Flow for β-Lactone Synthesis ACS Catalysis, 2021, 1309-1315 |
| 4518476 | CIF | C16 H20 O4 | P b c n | 9.8509; 22.6483; 12.9093 90; 90; 90 | 2880.14 | Kang, Guowei; Romo, Daniel Photocatalyzed, β-Selective Hydrocarboxylation of α,β-Unsaturated Esters with CO2 under Flow for β-Lactone Synthesis ACS Catalysis, 2021, 1309-1315 |
| 4518493 | CIF | C98 H140 N6 O12 P2 Pd2 S2 | P 21 21 2 | 27.2621; 33.0868; 13.1605 90; 90; 90 | 11871 | Hang, Chao; Ramirez, Antonio; Chan, Collin; Hsiao, Yi; DelMonte, Albert J.; Simmons, Eric M. Mechanistic Studies of a Pd-Catalyzed Direct Arylation En Route to Beclabuvir: Dual Role of a Tetramethylammonium Cation and an Unusual Turnover-Limiting Step ACS Catalysis, 2021, 2460-2472 |
| 4518501 | CIF | C24 H46 B F4 Ir O P2 | P b c a | 17.1482; 16.0706; 21.2524 90; 90; 90 | 5856.8 | Shada, Arun Dixith Reddy; Miller, Alexander J. M.; Emge, Thomas J.; Goldman, Alan S. Catalytic Dehydrogenation of Alkanes by PCP‒Pincer Iridium Complexes Using Proton and Electron Acceptors ACS Catalysis, 2021, 3009-3016 |
| 4518502 | CIF | C22 H22 F3 N3 O3 S | P 1 21/c 1 | 10.2063; 10.6518; 20.6939 90; 102.966; 90 | 2192.4 | Kim, Yeong Bum; Won, Joonghee; Lee, Jeonghyo; Kim, Junho; Zhou, Bingwei; Park, Jung-Woo; Baik, Mu-Hyun; Chang, Sukbok Ni-Catalyzed Intermolecular C(sp3)‒H Amidation Tuned by Bidentate Directing Groups ACS Catalysis, 2021, 3067-3072 |
| 4518507 | CIF | C30 H36 B2 F2 O4 | C 1 2/c 1 | 18.1379; 10.3208; 14.2997 90; 99.566; 90 | 2639.65 | Willcox, Dominic R.; Nichol, Gary S.; Thomas, Stephen P. Borane-Catalyzed C(sp3)‒F Bond Arylation and Esterification Enabled by Transborylation ACS Catalysis, 2021, 3190-3197 |
| 4518508 | CIF | C23 H33 B2 F O2 | C 1 c 1 | 10.318; 29.4659; 6.7167 90; 93.252; 90 | 2038.78 | Willcox, Dominic R.; Nichol, Gary S.; Thomas, Stephen P. Borane-Catalyzed C(sp3)‒F Bond Arylation and Esterification Enabled by Transborylation ACS Catalysis, 2021, 3190-3197 |
| 4518509 | CIF | C31 H44 Hf N2 | P 1 21/n 1 | 11.0122; 14.9674; 17.6793 90; 97.4462; 90 | 2889.4 | Zhang, Jialong; Mason, Alexander H.; Motta, Alessandro; Cesar, Laryssa G.; Kratish, Yosi; Lohr, Tracy L.; Miller, Jeffrey T.; Gao, Yanshan; Marks, Tobin J. Surface vs Homogeneous Organo-Hafnium Catalyst Ion-Pairing and Ligand Effects on Ethylene Homo- and Copolymerizations ACS Catalysis, 2021, 3239-3250 |
| 4518510 | CIF | C30 H42 Hf N2 | P 1 2/c 1 | 17.2803; 9.5964; 33.993 90; 90.416; 90 | 5636.9 | Zhang, Jialong; Mason, Alexander H.; Motta, Alessandro; Cesar, Laryssa G.; Kratish, Yosi; Lohr, Tracy L.; Miller, Jeffrey T.; Gao, Yanshan; Marks, Tobin J. Surface vs Homogeneous Organo-Hafnium Catalyst Ion-Pairing and Ligand Effects on Ethylene Homo- and Copolymerizations ACS Catalysis, 2021, 3239-3250 |
| 4518511 | CIF | C33 H42 F6 Fe N10 O7 S2 | C 1 2/c 1 | 24.072; 14.465; 15.452 90; 125.76; 90 | 4366 | Massie, Allyssa A.; Schremmer, Claudia; Rüter, Isabelle; Dechert, Sebastian; Siewert, Inke; Meyer, Franc Selective Electrocatalytic CO2 Reduction to CO by an NHC-Based Organometallic Heme Analogue ACS Catalysis, 2021, 3257-3267 |
| 4518512 | CIF | C31 H38 Cl2 F6 Fe N8 O8 S2 | P 1 21/n 1 | 13.5494; 14.2148; 23.1891 90; 90.538; 90 | 4466.1 | Massie, Allyssa A.; Schremmer, Claudia; Rüter, Isabelle; Dechert, Sebastian; Siewert, Inke; Meyer, Franc Selective Electrocatalytic CO2 Reduction to CO by an NHC-Based Organometallic Heme Analogue ACS Catalysis, 2021, 3257-3267 |
| 4518514 | CIF | C26 H45 B11 Cl11 F N2 Si Ti | P 1 21/c 1 | 11.657; 32.375; 12.033 90; 97.304; 90 | 4504.3 | Gunther, S. Olivia; Lai, Qingheng; Senecal, Todd; Huacuja, Rafael; Bremer, Sean; Pearson, David M.; DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V.; Klosin, Jerzy Highly Efficient Carborane-Based Activators for Molecular Olefin Polymerization Catalysts ACS Catalysis, 2021, 11, 3335-3342 |
| 4518515 | CIF | C40 H69 B11 Cl11 F N2 Si2 Ti2 | P -1 | 12.1095; 15.0642; 17.4165 83.88; 75.362; 85.783 | 3052.9 | Gunther, S. Olivia; Lai, Qingheng; Senecal, Todd; Huacuja, Rafael; Bremer, Sean; Pearson, David M.; DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V.; Klosin, Jerzy Highly Efficient Carborane-Based Activators for Molecular Olefin Polymerization Catalysts ACS Catalysis, 2021, 11, 3335-3342 |
| 4518521 | CIF | C21.5 H21 Cr0.5 N2 O2.5 P0.5 | P 1 21/n 1 | 8.2209; 31.649; 15.344 90; 102.728; 90 | 3894.2 | Hong, Young Hyun; Jang, Yuri; Ezhov, Roman; Seo, Mi Sook; Lee, Yong-Min; Pandey, Bhawana; Hong, Seungwoo; Pushkar, Yulia; Fukuzumi, Shunichi; Nam, Wonwoo A Highly Reactive Chromium(V)‒Oxo TAML Cation Radical Complex in Electron Transfer and Oxygen Atom Transfer Reactions ACS Catalysis, 2021, 2889-2901 |
| 4518522 | CIF | C20 H19 N O3 | P b c a | 18.5023; 7.8493; 22.7256 90; 90; 90 | 3300.4 | Gao, Can; Wang, Xunhua; Liu, Jitian; Li, Xiaoxun Highly Diastereo- and Enantioselective Synthesis of Tetrahydrobenzo[b]azocines via Palladium-Catalyzed [4 + 4] Cycloaddition ACS Catalysis, 2021, 2684-2690 |
| 4518523 | CIF | C40 H34 Br8 N2 O6 | C 1 2 1 | 28.1259; 7.5367; 20.6213 90; 104.756; 90 | 4227.1 | Gao, Can; Wang, Xunhua; Liu, Jitian; Li, Xiaoxun Highly Diastereo- and Enantioselective Synthesis of Tetrahydrobenzo[b]azocines via Palladium-Catalyzed [4 + 4] Cycloaddition ACS Catalysis, 2021, 2684-2690 |
| 4518524 | CIF | C15 H22 N2 O2 S | C 1 2/c 1 | 28.027; 10.1457; 12.2742 90; 114.564; 90 | 3174.3 | Coin, Guillaume; Dubourdeaux, Patrick; Avenier, Frédéric; Patra, Ranjan; Castro, Ludovic; Lebrun, Colette; Bayle, Pierre-Alain; Pécaut, Jacques; Blondin, Geneviève; Maldivi, Pascale; Latour, Jean-Marc Experiments and DFT Computations Combine to Decipher Fe-Catalyzed Amidine Synthesis through Nitrene Transfer and Nitrile Insertion ACS Catalysis, 2021, 11, 2253-2266 |
| 4518525 | CIF | C22 H27 N O2 | P 1 21 1 | 10.30461; 7.07541; 13.213 90; 92.0022; 90 | 962.76 | Wu, Liexin; Xu, Huiying; Gao, Hui; Li, Liping; Chen, Weijie; Zhou, Zhi; Yi, Wei Chiral Allylic Amine Synthesis Enabled by the Enantioselective CpXRh(III)-Catalyzed Carboaminations of 1,3-Dienes ACS Catalysis, 2021, 11, 2279-2287 |
| 4518526 | CIF | C55 H76 B Br Ca N6 O | P 1 21/n 1 | 12.9092; 22.3669; 18.0189 90; 101.288; 90 | 5102.1 | Zhao, Lanxiao; Shi, Xianghui; Cheng, Jianhua Calcium-Catalyzed Dehydrogenative Silylation of Aromatic Ethers with Hydrosilane ACS Catalysis, 2021, 11, 2041-2046 |
| 4518527 | CIF | C56 H79 B Ca N6 O | P 1 21/n 1 | 13.0462; 21.9662; 17.99 90; 104.112; 90 | 4999.9 | Zhao, Lanxiao; Shi, Xianghui; Cheng, Jianhua Calcium-Catalyzed Dehydrogenative Silylation of Aromatic Ethers with Hydrosilane ACS Catalysis, 2021, 11, 2041-2046 |
| 4518533 | CIF | C15 H22 N2 O | P 1 21/c 1 | 12.771; 12.1463; 9.6862 90; 92.048; 90 | 1501.57 | Yi, Ming-Jun; Zhang, Huan-Xin; Xiao, Teng-Fei; Zhang, Ji-Hua; Feng, Zhi-Tao; Wei, Li-Pu; Xu, Guo-Qiang; Xu, Peng-Fei Photoinduced Metal-Free α-C(sp3)‒H Carbamoylation of Saturated Aza-Heterocycles via Rationally Designed Organic Photocatalyst ACS Catalysis, 2021, 11, 3466-3472 |
| 4518535 | CIF | C25 H47 Cl N O3 P S | P 1 21/n 1 | 8.3926; 23.5709; 14.3271 90; 92.6796; 90 | 2831.1 | Hu, Rong-Bin; Lam, Ying-Pong; Ng, Wing-Hin; Wong, Chun-Yuen; Yeung, Ying-Yeung Zwitterion-Induced Organic‒Metal Hybrid Catalysis in Aerobic Oxidation ACS Catalysis, 2021, 11, 3498-3506 |
| 4518536 | CIF | C25 H30 O3 Si | P 1 21 1 | 10.4612; 6.7009; 15.9349 90; 102.822; 90 | 1089.17 | Zhang, Liangliang; Oestreich, Martin Diastereotopic Group-Selective Intramolecular Aldol Reactions Initiated by Enantioselective Conjugate Silylation: Diastereodivergence Controlled by the Silicon Nucleophile ACS Catalysis, 2021, 11, 3516-3522 |
| 4518544 | CIF | C22 H24 Br N O3 S | C 1 2/c 1 | 22.5321; 8.3857; 22.2758 90; 100.736; 90 | 4135.28 | Qi, Lin-Jun; Shi, Chong-Yang; Chen, Peng-Fei; Li, Long; Fang, Gang; Qian, Peng-Cheng; Deng, Chao; Zhou, Jin-Mei; Ye, Long-Wu Gold-Catalyzed 1,1-Carboalkoxylation of Oxetane-Ynamides via Exocyclic Metal Carbenes: Divergent and Atom-Economical Synthesis of Tricyclic N-Heterocycles ACS Catalysis, 2021, 11, 3679-3686 |
| 4518545 | CIF | C40 H40 Br2 N2 O6 S2 | P 21 21 21 | 8.3815; 16.1769; 28.5494 90; 90; 90 | 3870.92 | Qi, Lin-Jun; Shi, Chong-Yang; Chen, Peng-Fei; Li, Long; Fang, Gang; Qian, Peng-Cheng; Deng, Chao; Zhou, Jin-Mei; Ye, Long-Wu Gold-Catalyzed 1,1-Carboalkoxylation of Oxetane-Ynamides via Exocyclic Metal Carbenes: Divergent and Atom-Economical Synthesis of Tricyclic N-Heterocycles ACS Catalysis, 2021, 11, 3679-3686 |
| 4518546 | CIF | C17 H13 N O | C 2 e b | 6.923; 21.697; 15.616 90; 90; 90 | 2345.7 | Qi, Lin-Jun; Shi, Chong-Yang; Chen, Peng-Fei; Li, Long; Fang, Gang; Qian, Peng-Cheng; Deng, Chao; Zhou, Jin-Mei; Ye, Long-Wu Gold-Catalyzed 1,1-Carboalkoxylation of Oxetane-Ynamides via Exocyclic Metal Carbenes: Divergent and Atom-Economical Synthesis of Tricyclic N-Heterocycles ACS Catalysis, 2021, 11, 3679-3686 |
| 4518548 | CIF | C32 H33 N O5 S2 | P 21 21 21 | 9.0104; 16.6022; 18.9828 90; 90; 90 | 2839.7 | Zhang, Yuanyuan; Liang, Yaoyu; Zhao, Xiaodan Chiral Selenide-Catalyzed, Highly Regio- and Enantioselective Intermolecular Thioarylation of Alkenes with Phenols ACS Catalysis, 2021, 11, 3755-3761 |
| 4518561 | CIF | C38 H61 Al N2 O3 | P 1 21 1 | 10.5311; 12.1035; 14.8941 90; 100.65; 90 | 1865.75 | Gesslbauer, Sami; Hutchinson, George; White, Andrew J. P.; Burés, Jordi; Romain, Charles Chirality-Induced Catalyst Aggregation: Insights into Catalyst Speciation and Activity Using Chiral Aluminum Catalysts in Cyclic Ester Ring-Opening Polymerization ACS Catalysis, 2021, 11, 4084-4093 |
| 4518562 | CIF | C87 H124 Al2 N4 O6 | P 1 21 1 | 14.2817; 19.6139; 16.3139 90; 112.131; 90 | 4233.16 | Gesslbauer, Sami; Hutchinson, George; White, Andrew J. P.; Burés, Jordi; Romain, Charles Chirality-Induced Catalyst Aggregation: Insights into Catalyst Speciation and Activity Using Chiral Aluminum Catalysts in Cyclic Ester Ring-Opening Polymerization ACS Catalysis, 2021, 11, 4084-4093 |
| 4518563 | CIF | C83.25 H120.5 Al2 Cl2.5 N4 O6 | P 1 21/n 1 | 14.7009; 19.8009; 15.5738 90; 112.532; 90 | 4187.3 | Gesslbauer, Sami; Hutchinson, George; White, Andrew J. P.; Burés, Jordi; Romain, Charles Chirality-Induced Catalyst Aggregation: Insights into Catalyst Speciation and Activity Using Chiral Aluminum Catalysts in Cyclic Ester Ring-Opening Polymerization ACS Catalysis, 2021, 11, 4084-4093 |
| 4518564 | CIF | C22 H30 Cl2 N3 Ni P | P 1 21/c 1 | 11.7864; 12.0598; 16.8359 90; 105.394; 90 | 2307.2 | Li, Huaifeng; Lupp, Daniel; Das, Pradip K.; Yang, Li; Gonçalves, Théo P.; Huang, Mei-Hui; El Hajoui, Marwa; Liang, Lan-Chang; Huang, Kuo-Wei Redox-Neutral Imination of Alcohol with Azide: A Sustainable Alternative to the Staudinger/Aza-Wittig Reaction ACS Catalysis, 2021, 11, 4071-4076 |
| 4518565 | CIF | C25 H32 Cl0 N3 Ni O P | P -1 | 8.853; 16.369; 18.452 105.791; 100.542; 105.669 | 2380.6 | Li, Huaifeng; Lupp, Daniel; Das, Pradip K.; Yang, Li; Gonçalves, Théo P.; Huang, Mei-Hui; El Hajoui, Marwa; Liang, Lan-Chang; Huang, Kuo-Wei Redox-Neutral Imination of Alcohol with Azide: A Sustainable Alternative to the Staudinger/Aza-Wittig Reaction ACS Catalysis, 2021, 11, 4071-4076 |
| 4518566 | CIF | C18 H25 Cl N3 Ni P | P 1 21/c 1 | 16.1382; 8.1442; 16.0627 90; 118.179; 90 | 1860.9 | Li, Huaifeng; Lupp, Daniel; Das, Pradip K.; Yang, Li; Gonçalves, Théo P.; Huang, Mei-Hui; El Hajoui, Marwa; Liang, Lan-Chang; Huang, Kuo-Wei Redox-Neutral Imination of Alcohol with Azide: A Sustainable Alternative to the Staudinger/Aza-Wittig Reaction ACS Catalysis, 2021, 11, 4071-4076 |
| 4518567 | CIF | C21 H30 Cl2 N3 Ni O P | P 1 21/n 1 | 14.2865; 11.363; 14.9046 90; 109.571; 90 | 2279.8 | Li, Huaifeng; Lupp, Daniel; Das, Pradip K.; Yang, Li; Gonçalves, Théo P.; Huang, Mei-Hui; El Hajoui, Marwa; Liang, Lan-Chang; Huang, Kuo-Wei Redox-Neutral Imination of Alcohol with Azide: A Sustainable Alternative to the Staudinger/Aza-Wittig Reaction ACS Catalysis, 2021, 11, 4071-4076 |
| 4518568 | CIF | C18 H26 Cl2 N3 Ni P | P 1 21/c 1 | 12.1286; 12.4385; 13.4746 90; 95.4; 90 | 2023.8 | Li, Huaifeng; Lupp, Daniel; Das, Pradip K.; Yang, Li; Gonçalves, Théo P.; Huang, Mei-Hui; El Hajoui, Marwa; Liang, Lan-Chang; Huang, Kuo-Wei Redox-Neutral Imination of Alcohol with Azide: A Sustainable Alternative to the Staudinger/Aza-Wittig Reaction ACS Catalysis, 2021, 11, 4071-4076 |
| 4518571 | CIF | C27 H30 N4 O3 | P -1 | 5.836; 10.2615; 21.051 82.853; 85.165; 89.89 | 1246.4 | Gou, Xue-Ya; Li, Yuke; Luan, Yu-Yong; Shi, Wei-Yu; Wang, Cui-Tian; An, Yang; Zhang, Bo-Sheng; Liang, Yong-Min Ruthenium-Catalyzed Radical Cyclization/meta-Selective C‒H Alkylation of Arenes via σ-Activation Strategy ACS Catalysis, 2021, 11, 4263-4270 |
| 4518572 | CIF | C25 H27 N3 O3 | C 1 2/c 1 | 31.7124; 6.29804; 22.6491 90; 93.248; 90 | 4516.3 | Gou, Xue-Ya; Li, Yuke; Luan, Yu-Yong; Shi, Wei-Yu; Wang, Cui-Tian; An, Yang; Zhang, Bo-Sheng; Liang, Yong-Min Ruthenium-Catalyzed Radical Cyclization/meta-Selective C‒H Alkylation of Arenes via σ-Activation Strategy ACS Catalysis, 2021, 11, 4263-4270 |
| 4518573 | CIF | C25 H28 N2 O4 | P 1 21/n 1 | 6.407; 11.0997; 31.594 90; 91.726; 90 | 2245.8 | Gou, Xue-Ya; Li, Yuke; Luan, Yu-Yong; Shi, Wei-Yu; Wang, Cui-Tian; An, Yang; Zhang, Bo-Sheng; Liang, Yong-Min Ruthenium-Catalyzed Radical Cyclization/meta-Selective C‒H Alkylation of Arenes via σ-Activation Strategy ACS Catalysis, 2021, 11, 4263-4270 |
| 4518581 | CIF | C19 H18 F N O2 S | P 1 21/n 1 | 8.7423; 16.0218; 11.8664 90; 103.672; 90 | 1615 | Zhang, Xiao-Yu; Wu, Xiao-Yun; Zhang, Bo; Wei, Yin; Shi, Min Silyl Radical-Mediated Carbocyclization of Acrylamide-/Vinyl Sulfonamide-Attached Alkylidenecyclopropanes via Photoredox Catalysis with a Catalytic Amount of Silane Reagent ACS Catalysis, 2021, 4372-4380 |
| 4518582 | CIF | C21 H21 N O | P 41 21 2 | 7.4865; 7.4865; 59.274 90; 90; 90 | 3322.17 | Zhang, Xiao-Yu; Wu, Xiao-Yun; Zhang, Bo; Wei, Yin; Shi, Min Silyl Radical-Mediated Carbocyclization of Acrylamide-/Vinyl Sulfonamide-Attached Alkylidenecyclopropanes via Photoredox Catalysis with a Catalytic Amount of Silane Reagent ACS Catalysis, 2021, 4372-4380 |
| 4518587 | CIF | C102 H154 Fe4 N2 O40 Ti8 | P 1 21/n 1 | 12.3397; 15.543; 34.356 90; 90.699; 90 | 6588.9 | Liu, Jing-Jing; Li, Ning; Sun, Jia-Wei; Liu, Jiang; Dong, Long-Zhang; Yao, Su-Juan; Zhang, Lei; Xin, Zhi-Feng; Shi, Jing-Wen; Wang, Jing-Xuan; Li, Shun-Li; Lan, Ya-Qian Ferrocene-Functionalized Polyoxo-Titanium Cluster for CO2 Photoreduction ACS Catalysis, 2021, 4510-4519 |
| 4518588 | CIF | C66 H116 Fe2 O32 S2 Ti6 | C 1 2/c 1 | 31.653; 14.083; 20.207 90; 94.632; 90 | 8978 | Liu, Jing-Jing; Li, Ning; Sun, Jia-Wei; Liu, Jiang; Dong, Long-Zhang; Yao, Su-Juan; Zhang, Lei; Xin, Zhi-Feng; Shi, Jing-Wen; Wang, Jing-Xuan; Li, Shun-Li; Lan, Ya-Qian Ferrocene-Functionalized Polyoxo-Titanium Cluster for CO2 Photoreduction ACS Catalysis, 2021, 4510-4519 |
| 4518597 | CIF | C24 H19 N3 Ni O2 | P -1 | 8.8213; 10.1609; 11.288 104.489; 103.879; 91.518 | 946.96 | Nohira, Itsuki; Chatani, Naoto Nickel-Catalyzed Cross-Electrophile Coupling between C(sp2)‒F and C(sp2)‒Cl Bonds by the Reaction of ortho-Fluoro-Aromatic Amides with Aryl Chlorides ACS Catalysis, 2021, 11, 4644-4649 |
| 4518598 | CIF | C16 H16 N2 O3 | P 21 21 21 | 6.961; 12.032; 16.96 90; 90; 90 | 1420.5 | Tathe, Akash G.; Urvashi,; Yadav, Amit K.; Chintawar, Chetan C.; Patil, Nitin T. Gold-Catalyzed 1,2-Aminoarylation of Alkenes with External Amines ACS Catalysis, 2021, 4576-4582 |
| 4518599 | CIF | C15 H14 N2 O2 | P 1 21/c 1 | 10.5656; 14.7742; 7.8958 90; 94.428; 90 | 1228.8 | Tathe, Akash G.; Urvashi,; Yadav, Amit K.; Chintawar, Chetan C.; Patil, Nitin T. Gold-Catalyzed 1,2-Aminoarylation of Alkenes with External Amines ACS Catalysis, 2021, 4576-4582 |
| 4518600 | CIF | C15 H14 N3 O2 | P 21 21 21 | 9.3825; 9.86; 13.868 90; 90; 90 | 1282.9 | Tathe, Akash G.; Urvashi,; Yadav, Amit K.; Chintawar, Chetan C.; Patil, Nitin T. Gold-Catalyzed 1,2-Aminoarylation of Alkenes with External Amines ACS Catalysis, 2021, 4576-4582 |
| 4518601 | CIF | C48 H70 N6 O2 Ti | P -1 | 11.006; 14.517; 16.17 67.282; 77.986; 89.059 | 2325 | Manßen, Manfred; Deng, Danfeng; Zheng, Cameron H. M.; DiPucchio, Rebecca C.; Chen, Dafa; Schafer, Laurel L. Ureate Titanium Catalysts for Hydroaminoalkylation: Using Ligand Design to Increase Reactivity and Utility ACS Catalysis, 2021, 4550-4560 |
| 4518602 | CIF | C44 H56 N6 O | P 21 21 21 | 11.3688; 15.8213; 22.0726 90; 90; 90 | 3970.2 | Hohlman, Robert M.; Newmister, Sean A.; Sanders, Jacob N.; Khatri, Yogan; Li, Shasha; Keramati, Nikki R.; Lowell, Andrew N.; Houk, K. N.; Sherman, David H. Structural Diversification of Hapalindole and Fischerindole Natural Products via Cascade Biocatalysis ACS Catalysis, 2021, 11, 4670-4681 |
| 4518611 | CIF | C18 H18 O4 S | P 1 21 1 | 12.2212; 5.7554; 12.4922 90; 115.284; 90 | 794.5 | Liu, Yuexin; Jiao, Yang; Luo, Huajun; Huang, Nianyu; Lai, Mengnan; Zou, Kun; Yao, Hui Catalyst-Controlled Regiodivergent Synthesis of 1- and 3-Thiosugars with High Stereoselectivity and Chemoselectivity ACS Catalysis, 2021, 5287-5293 |
| 4518612 | CIF | C14 H15 Br O4 S | P 1 21 1 | 12.4647; 5.1138; 23.6809 90; 101.514; 90 | 1479.09 | Liu, Yuexin; Jiao, Yang; Luo, Huajun; Huang, Nianyu; Lai, Mengnan; Zou, Kun; Yao, Hui Catalyst-Controlled Regiodivergent Synthesis of 1- and 3-Thiosugars with High Stereoselectivity and Chemoselectivity ACS Catalysis, 2021, 5287-5293 |
| 4518613 | CIF | C91 H45 B F48 N3 Ni O | C 1 2/c 1 | 44.1023; 11.9357; 37.7488 90; 107.621; 90 | 18938.3 | Schiebel, Eva; Voccia, Maria; Falivene, Laura; Caporaso, Lucia; Mecking, Stefan The Impact of Charge in a Ni(II) Polymerization Catalyst ACS Catalysis, 2021, 5358-5368 |
| 4518614 | CIF | C59 H60 N2 Ni O | P 1 21/n 1 | 12.2781; 22.6085; 18.0159 90; 106.372; 90 | 4798.2 | Schiebel, Eva; Voccia, Maria; Falivene, Laura; Caporaso, Lucia; Mecking, Stefan The Impact of Charge in a Ni(II) Polymerization Catalyst ACS Catalysis, 2021, 5358-5368 |
| 4518615 | CIF | C56 H31 F24 N2 Ni O | P -1 | 13.606; 13.645; 17.543 88.69; 69.98; 65.61 | 2760.17 | Schiebel, Eva; Voccia, Maria; Falivene, Laura; Caporaso, Lucia; Mecking, Stefan The Impact of Charge in a Ni(II) Polymerization Catalyst ACS Catalysis, 2021, 5358-5368 |
| 4518616 | CIF | C91 H72 B F24 N2 Ni O | P -1 | 16.7822; 18.2187; 18.2294 109.732; 101.015; 110.139 | 4618.2 | Schiebel, Eva; Voccia, Maria; Falivene, Laura; Caporaso, Lucia; Mecking, Stefan The Impact of Charge in a Ni(II) Polymerization Catalyst ACS Catalysis, 2021, 5358-5368 |
| 4518617 | CIF | C47 H68 Fe N6 | P -1 | 10.597; 11.754; 18.0639 76.8308; 89; 85.8243 | 2185 | Doll, Julianna S.; Eichelmann, Robert; Hertwig, Leif E.; Bender, Thilo; Kohler, Vincenz J.; Bill, Eckhard; Wadepohl, Hubert; Roşca, Dragoş-Adrian Iron-Catalyzed Trimerization of Terminal Alkynes Enabled by Pyrimidinediimine Ligands: A Regioselective Method for the Synthesis of 1,3,5-Substituted Arenes ACS Catalysis, 2021, 5593-5600 |
| 4518618 | CIF | C40 H58 Cl2 Fe N4 O | P 61 | 26.4101; 26.4101; 10.6187 90; 90; 120 | 6414.2 | Doll, Julianna S.; Eichelmann, Robert; Hertwig, Leif E.; Bender, Thilo; Kohler, Vincenz J.; Bill, Eckhard; Wadepohl, Hubert; Roşca, Dragoş-Adrian Iron-Catalyzed Trimerization of Terminal Alkynes Enabled by Pyrimidinediimine Ligands: A Regioselective Method for the Synthesis of 1,3,5-Substituted Arenes ACS Catalysis, 2021, 5593-5600 |
| 4518619 | CIF | C48 H62 Fe N4 | P 1 21/c 1 | 13.8259; 10.7782; 27.1348 90; 93.3137; 90 | 4036.82 | Doll, Julianna S.; Eichelmann, Robert; Hertwig, Leif E.; Bender, Thilo; Kohler, Vincenz J.; Bill, Eckhard; Wadepohl, Hubert; Roşca, Dragoş-Adrian Iron-Catalyzed Trimerization of Terminal Alkynes Enabled by Pyrimidinediimine Ligands: A Regioselective Method for the Synthesis of 1,3,5-Substituted Arenes ACS Catalysis, 2021, 5593-5600 |
| 4518620 | CIF | C44.77 H51.54 Cl5.54 Fe N4 | P 1 21/n 1 | 13.71615; 20.52625; 17.35612 90; 110.785; 90 | 4568.43 | Doll, Julianna S.; Eichelmann, Robert; Hertwig, Leif E.; Bender, Thilo; Kohler, Vincenz J.; Bill, Eckhard; Wadepohl, Hubert; Roşca, Dragoş-Adrian Iron-Catalyzed Trimerization of Terminal Alkynes Enabled by Pyrimidinediimine Ligands: A Regioselective Method for the Synthesis of 1,3,5-Substituted Arenes ACS Catalysis, 2021, 5593-5600 |
| 4518621 | CIF | C132 H204 Fe2 N12 Na2 O4 | P -1 | 14.3281; 15.1547; 15.3273 89.69; 83.236; 73.71 | 3171 | Doll, Julianna S.; Eichelmann, Robert; Hertwig, Leif E.; Bender, Thilo; Kohler, Vincenz J.; Bill, Eckhard; Wadepohl, Hubert; Roşca, Dragoş-Adrian Iron-Catalyzed Trimerization of Terminal Alkynes Enabled by Pyrimidinediimine Ligands: A Regioselective Method for the Synthesis of 1,3,5-Substituted Arenes ACS Catalysis, 2021, 5593-5600 |
| 4518622 | CIF | C22 H22 N2 O3 Pd | P -1 | 9.1137; 10.222; 12.2985 70.989; 70.567; 71.163 | 991.53 | Huang, Jingjun; Isaac, Matthew; Watt, Ryan; Becica, Joseph; Dennis, Emma; Saidaminov, Makhsud I.; Sabbers, William A.; Leitch, David C. DMPDAB‒Pd‒MAH: A Versatile Pd(0) Source for Precatalyst Formation, Reaction Screening, and Preparative-Scale Synthesis ACS Catalysis, 2021, 5636-5646 |
| 4518623 | CIF | C44 H40 O5 P2 Pd | P -1 | 11.0488; 12.4133; 15.6581 99.623; 106.45; 105.981 | 1908.8 | Huang, Jingjun; Isaac, Matthew; Watt, Ryan; Becica, Joseph; Dennis, Emma; Saidaminov, Makhsud I.; Sabbers, William A.; Leitch, David C. DMPDAB‒Pd‒MAH: A Versatile Pd(0) Source for Precatalyst Formation, Reaction Screening, and Preparative-Scale Synthesis ACS Catalysis, 2021, 5636-5646 |
| 4518624 | CIF | C43.5 H35 Cl O4 P2 Pd | C 1 2/c 1 | 24.7326; 13.201; 23.4604 90; 111.779; 90 | 7113 | Huang, Jingjun; Isaac, Matthew; Watt, Ryan; Becica, Joseph; Dennis, Emma; Saidaminov, Makhsud I.; Sabbers, William A.; Leitch, David C. DMPDAB‒Pd‒MAH: A Versatile Pd(0) Source for Precatalyst Formation, Reaction Screening, and Preparative-Scale Synthesis ACS Catalysis, 2021, 5636-5646 |
| 4518625 | CIF | C38 H30 Fe O3 P2 Pd | C 1 c 1 | 26.339; 8.38; 17.649 90; 124.36; 90 | 3216 | Huang, Jingjun; Isaac, Matthew; Watt, Ryan; Becica, Joseph; Dennis, Emma; Saidaminov, Makhsud I.; Sabbers, William A.; Leitch, David C. DMPDAB‒Pd‒MAH: A Versatile Pd(0) Source for Precatalyst Formation, Reaction Screening, and Preparative-Scale Synthesis ACS Catalysis, 2021, 5636-5646 |
| 4518626 | CIF | C37 H50 O3 P Pd | P b c a | 18.282; 18.506; 20.018 90; 90; 90 | 6773 | Huang, Jingjun; Isaac, Matthew; Watt, Ryan; Becica, Joseph; Dennis, Emma; Saidaminov, Makhsud I.; Sabbers, William A.; Leitch, David C. DMPDAB‒Pd‒MAH: A Versatile Pd(0) Source for Precatalyst Formation, Reaction Screening, and Preparative-Scale Synthesis ACS Catalysis, 2021, 5636-5646 |
| 4518627 | CIF | C39.5 H46.5 Cl2 N4 O3.5 P Pd | P 1 21/n 1 | 12.848; 18.223; 16.659 90; 99.686; 90 | 3844.8 | Huang, Jingjun; Isaac, Matthew; Watt, Ryan; Becica, Joseph; Dennis, Emma; Saidaminov, Makhsud I.; Sabbers, William A.; Leitch, David C. DMPDAB‒Pd‒MAH: A Versatile Pd(0) Source for Precatalyst Formation, Reaction Screening, and Preparative-Scale Synthesis ACS Catalysis, 2021, 5636-5646 |
| 4518630 | CIF | C29 H26 O2 Si | P 1 21/c 1 | 18.71438; 7.11566; 17.68547 90; 98.0756; 90 | 2331.73 | Zhu, Ming-Hui; Zhang, Xiao-Wen; Usman, Muhammad; Cong, Hengjiang; Liu, Wen-Bo Palladium-Catalyzed (4 + 4) Annulation of Silacyclobutanes and 2-Iodobiarenes to Eight-Membered Silacycles via C‒H and C‒Si Bond Activation ACS Catalysis, 2021, 5703-5708 |
| 4518664 | CIF | C60 H36 B Cl2 F24 P | P 1 21/c 1 | 13.4192; 25.996; 18.4476 90; 101.882; 90 | 6297.48 | Gasperini, Danila; Neale, Samuel E.; Mahon, Mary F.; Macgregor, Stuart A.; Webster, Ruth L. Phosphirenium Ions as Masked Phosphenium Catalysts: Mechanistic Evaluation and Application in Synthesis ACS Catalysis, 2021, 5452-5462 |
| 4518665 | CIF | C29 H24 F3 O5 P S | P 1 21/n 1 | 10.5938; 15.2705; 16.8486 90; 95.456; 90 | 2713.29 | Gasperini, Danila; Neale, Samuel E.; Mahon, Mary F.; Macgregor, Stuart A.; Webster, Ruth L. Phosphirenium Ions as Masked Phosphenium Catalysts: Mechanistic Evaluation and Application in Synthesis ACS Catalysis, 2021, 5452-5462 |
| 4518666 | CIF | C23 H29 N O2 | P -1 | 8.374; 10.255; 12.556 82.813; 70.937; 72.094 | 969.4 | Gockel, Samuel N.; Lee, SangHyun; Gay, Brittany L.; Hull, Kami L. Oxidative Three-Component Carboamination of Vinylarenes with Alkylboronic Acids ACS Catalysis, 2021, 5166-5171 |
| 4518667 | CIF | C22 H18 Br N O | P 1 21/n 1 | 6.0333; 29.8691; 9.4917 90; 101.456; 90 | 1676.41 | Kong, Lingheng; Han, Xi; Chen, Haohua; Sun, Huaming; Lan, Yu; Li, Xingwei Rhodium(II)-Catalyzed Regioselective Remote C‒H Alkylation of Protic Indoles ACS Catalysis, 2021, 4929-4935 |
| 4518668 | CIF | C24 H16.5 Br N O1.25 | P 1 | 9.7726; 12.1642; 16.4042 94.461; 102.259; 105.75 | 1814.9 | Kong, Lingheng; Han, Xi; Chen, Haohua; Sun, Huaming; Lan, Yu; Li, Xingwei Rhodium(II)-Catalyzed Regioselective Remote C‒H Alkylation of Protic Indoles ACS Catalysis, 2021, 4929-4935 |
| 4518669 | CIF | C21 H23 N3 Si | P 1 21/c 1 | 12.2356; 11.8474; 13.7752 90; 109.204; 90 | 1885.74 | Khake, Shrikant M.; Yamazaki, Ken; Ano, Yusuke; Chatani, Naoto Iridium(III)-Catalyzed Branch-Selective C‒H Alkenylation of Aniline Derivatives with Alkenes ACS Catalysis, 2021, 5463-5471 |
| 4518670 | CIF | C19 H27 N3 Si | P 1 21/c 1 | 8.4772; 23.1025; 9.866 90; 109.061; 90 | 1826.26 | Khake, Shrikant M.; Yamazaki, Ken; Ano, Yusuke; Chatani, Naoto Iridium(III)-Catalyzed Branch-Selective C‒H Alkenylation of Aniline Derivatives with Alkenes ACS Catalysis, 2021, 5463-5471 |
| 4518671 | CIF | C16 H21 N3 Si | P -1 | 8.5057; 10.2435; 10.405 95.532; 92.916; 111.087 | 838.34 | Khake, Shrikant M.; Yamazaki, Ken; Ano, Yusuke; Chatani, Naoto Iridium(III)-Catalyzed Branch-Selective C‒H Alkenylation of Aniline Derivatives with Alkenes ACS Catalysis, 2021, 5463-5471 |
| 4518672 | CIF | C21 H25 Cl Ir N3 | P -1 | 11.1967; 22.1378; 24.3143 76.519; 88.79; 86.768 | 5851.2 | Khake, Shrikant M.; Yamazaki, Ken; Ano, Yusuke; Chatani, Naoto Iridium(III)-Catalyzed Branch-Selective C‒H Alkenylation of Aniline Derivatives with Alkenes ACS Catalysis, 2021, 5463-5471 |
| 4518673 | CIF | C22 H24 N4 O14 P2 Ru | P 1 21/n 1 | 9.8814; 18.093; 15.1203 90; 105.261; 90 | 2607.9 | Vereshchuk, Nataliia; Holub, Jan; Gil-Sepulcre, Marcos; Benet-Buchholz, Jordi; Llobet, Antoni Fate of the Molecular Ru‒Phosphonate Water Oxidation Catalyst under Turnover Conditions ACS Catalysis, 2021, 5240-5247 |
| 4518674 | CIF | C26 H31 N4 O7 P Ru | P 1 21/n 1 | 11.5083; 8.8372; 27.547 90; 101.328; 90 | 2747 | Vereshchuk, Nataliia; Holub, Jan; Gil-Sepulcre, Marcos; Benet-Buchholz, Jordi; Llobet, Antoni Fate of the Molecular Ru‒Phosphonate Water Oxidation Catalyst under Turnover Conditions ACS Catalysis, 2021, 5240-5247 |
| 4518675 | CIF | C26 H29 N O | P -1 | 13.737; 14.478; 22.319 79.86; 77.01; 76.01 | 4162.1 | Yin, Ge; Li, Yue; Wang, Rong-Hua; Li, Jiang-Fei; Xu, Xue-Tao; Luan, Yu-Xin; Ye, Mengchun Ligand-Controlled Ni(0)‒Al(III) Bimetal-Catalyzed C3‒H Alkenylation of 2-Pyridones by Reversing Conventional Selectivity ACS Catalysis, 2021, 11, 4606-4612 |
| 4518676 | CIF | C22 H28 F3 N O4 Si | P 21 21 21 | 8.38863; 11.45356; 24.7725 90; 90; 90 | 2380.13 | Dong, Kuiyong; Zheng, Haifeng; Su, Yongliang; Humeidi, Ahmad; Arman, Hadi; Xu, Xinfang; Doyle, Michael P. Catalyst-Directed Divergent Catalytic Approaches to Expand Structural and Functional Scaffold Diversity via Metallo-Enolcarbene Intermediates ACS Catalysis, 2021, 11, 4712-4721 |
| 4518677 | CIF | C26 H38 Br N O4 Si | P 21 21 21 | 11.3628; 14.9417; 32.8659 90; 90; 90 | 5579.96 | Dong, Kuiyong; Zheng, Haifeng; Su, Yongliang; Humeidi, Ahmad; Arman, Hadi; Xu, Xinfang; Doyle, Michael P. Catalyst-Directed Divergent Catalytic Approaches to Expand Structural and Functional Scaffold Diversity via Metallo-Enolcarbene Intermediates ACS Catalysis, 2021, 11, 4712-4721 |
| 4518678 | CIF | C22 H23 Cl F N | P 1 21/n 1 | 14.5798; 9.6574; 15.0886 90; 115.724; 90 | 1913.97 | Taeufer, Tobias; Hauptmann, Richy; El-Hage, Firas; Mayer, Thea S.; Jiao, Haijun; Rabeah, Jabor; Pospech, Jola Pyrimidopteridine-Catalyzed Hydroamination of Stilbenes with Primary Amines: A Dual Photoredox and Hydrogen Atom Transfer Catalyst ACS Catalysis, 2021, 11, 4862-4869 |
| 4518679 | CIF | C22 H24 Cl N | P 21 21 21 | 6.4598; 13.9948; 21.6147 90; 90; 90 | 1954.05 | Taeufer, Tobias; Hauptmann, Richy; El-Hage, Firas; Mayer, Thea S.; Jiao, Haijun; Rabeah, Jabor; Pospech, Jola Pyrimidopteridine-Catalyzed Hydroamination of Stilbenes with Primary Amines: A Dual Photoredox and Hydrogen Atom Transfer Catalyst ACS Catalysis, 2021, 11, 4862-4869 |
| 4518680 | CIF | C21 H20 Cl N | P 1 21/c 1 | 19.1956; 5.6975; 16.7242 90; 114.44; 90 | 1665.19 | Taeufer, Tobias; Hauptmann, Richy; El-Hage, Firas; Mayer, Thea S.; Jiao, Haijun; Rabeah, Jabor; Pospech, Jola Pyrimidopteridine-Catalyzed Hydroamination of Stilbenes with Primary Amines: A Dual Photoredox and Hydrogen Atom Transfer Catalyst ACS Catalysis, 2021, 11, 4862-4869 |
| 4518688 | CIF | C17 H23 Br O2 | P 21 21 21 | 5.9557; 10.9058; 24.74 90; 90; 90 | 1606.9 | Ishihara, Hideyuki; Huang, Jianhao; Mochizuki, Takuya; Hatano, Manabu; Ishihara, Kazuaki Enantio- and Diastereoselective Carbonyl-Ene Cyclization‒Acetalization Tandem Reaction Catalyzed by Tris(pentafluorophenyl)borane-Assisted Chiral Phosphoric Acids ACS Catalysis, 2021, 11, 6121-6127 |
| 4518697 | CIF | C20 H22 F3 N3 O4 | P 21 21 21 | 9.14307; 11.5592; 19.6135 90; 90; 90 | 2072.88 | Guo, Fangfang; Chen, Jiean; Huang, Yong A Bifunctional N-Heterocyclic Carbene as a Noncovalent Organocatalyst for Enantioselective Aza-Michael Addition Reactions ACS Catalysis, 2021, 11, 6316-6324 |
| 4518698 | CIF | C24 H25 Cl F6 N5 O0.5 S | P 1 21 1 | 17.3627; 7.45954; 20.2256 90; 92.932; 90 | 2616.15 | Guo, Fangfang; Chen, Jiean; Huang, Yong A Bifunctional N-Heterocyclic Carbene as a Noncovalent Organocatalyst for Enantioselective Aza-Michael Addition Reactions ACS Catalysis, 2021, 11, 6316-6324 |
| 4518710 | CIF | C17 H21 N O S | P 21 21 21 | 6.7593; 11.1929; 20.8815 90; 90; 90 | 1579.81 | Simm, Peter E.; Sekar, Prakash; Richardson, Jeffery; Davies, Paul W. Gold(I)-Catalyzed Synthesis of 3-Sulfenyl Pyrroles and Indoles by a Regioselective Annulation of Alkynyl Thioethers ACS Catalysis, 2021, 6357-6362 |
| 4518711 | CIF | C25 H21 N O2 | C 1 c 1 | 19.2387; 12.2869; 10.5907 90; 130.407; 90 | 1906.3 | Simm, Peter E.; Sekar, Prakash; Richardson, Jeffery; Davies, Paul W. Gold(I)-Catalyzed Synthesis of 3-Sulfenyl Pyrroles and Indoles by a Regioselective Annulation of Alkynyl Thioethers ACS Catalysis, 2021, 6357-6362 |
| 4518725 | CIF | C38 H39 B2 Co F8 N2 P3 | C 1 c 1 | 24.1736; 10.243; 18.8716 90; 121.705; 90 | 3975.5 | Heins, Spencer P.; Schneider, Patrick E.; Speelman, Amy L.; Hammes-Schiffer, Sharon; Appel, Aaron M. Electrocatalytic Oxidation of Alcohol with Cobalt Triphosphine Complexes ACS Catalysis, 2021, 6384-6389 |
| 4518726 | CIF | C38 H39 B Co F4 N2 P3 | P 1 21/c 1 | 10.8813; 21.4; 15.7081 90; 95.165; 90 | 3642.9 | Heins, Spencer P.; Schneider, Patrick E.; Speelman, Amy L.; Hammes-Schiffer, Sharon; Appel, Aaron M. Electrocatalytic Oxidation of Alcohol with Cobalt Triphosphine Complexes ACS Catalysis, 2021, 6384-6389 |
| 4518731 | CIF | C26 H20 O3 | P 1 21/c 1 | 19.1548; 14.4591; 21.2542 90; 104.153; 90 | 5707.9 | Hu, Chao; Farshadfar, Kaveh; Dietl, Martin C.; Cervantes-Reyes, Alejandro; Wang, Tao; Adak, Tapas; Rudolph, Matthias; Rominger, Frank; Li, Jun; Ariafard, Alireza; Hashmi, A. Stephen K. Gold-Catalyzed [5,5]-Rearrangement ACS Catalysis, 2021, 6510-6518 |
| 4518732 | CIF | C25 H22 B F9 O4 | P 1 21/c 1 | 18.977; 11.6497; 12.004 90; 97.393; 90 | 2631.7 | Gatlik, Beata; Chaładaj, Wojciech Pd-Catalyzed Perfluoroalkylative Aryloxycarbonylation of Alkynes with Formates as CO Surrogates ACS Catalysis, 2021, 6547-6559 |
| 4518737 | CIF | C27 H33 Cl3 N O2 Rh | P -1 | 8.6935; 11.1078; 15.4392 103.343; 102.776; 103.769 | 1347.51 | Jin, Seongho; Kim, Jinwoo; Kim, Dongwook; Park, Jung-Woo; Chang, Sukbok Electrolytic C‒H Oxygenation via Oxidatively Induced Reductive Elimination in Rh Catalysis ACS Catalysis, 2021, 6590-6595 |
| 4518738 | CIF | C25 H29 Cl2 I N2 O2 | P 1 21/c 1 | 16.666; 10.1915; 16.848 90; 115.579; 90 | 2581.2 | Mi, Ruijie; Zhang, Xuepeng; Wang, Jinlei; Chen, Haohua; Lan, Yu; Wang, Fen; Li, Xingwei Rhodium-Catalyzed Regio-, Diastereo-, and Enantioselective Three-Component Carboamination of Dienes via C‒H Activation ACS Catalysis, 2021, 6692-6697 |
| 4518739 | CIF | C52 H78 B2 N2 O6 P2 | P 1 21 1 | 7.8347; 33.8529; 10.5604 90; 111.636; 90 | 2603.57 | Kubota, Koji; Miura, Daiyo; Takeuchi, Takumi; Osaki, Shun; Ito, Hajime Synthesis of Chiral α-Amino Tertiary Boronates via the Catalytic Enantioselective Nucleophilic Borylation of Dialkyl Ketimines ACS Catalysis, 2021, 6733-6740 |
| 4518756 | CIF | C14 H17 N O4 | P 1 21 1 | 10.2799; 5.2046; 12.4362 90; 91.289; 90 | 665.2 | Ao, Yu-Fei; Hu, Hui-Juan; Zhao, Cheng-Xin; Chen, Peng; Huang, Tingting; Chen, Hui; Wang, Qi-Qiang; Wang, De-Xian; Wang, Mei-Xiang Reversal and Amplification of the Enantioselectivity of Biocatalytic Desymmetrization toward Meso Heterocyclic Dicarboxamides Enabled by Rational Engineering of Amidase ACS Catalysis, 2021, 6900-6907 |
| 4518757 | CIF | C28 H34 N2 O8 | P 1 21 1 | 7.999; 14.9431; 11.0324 90; 95.829; 90 | 1311.88 | Ao, Yu-Fei; Hu, Hui-Juan; Zhao, Cheng-Xin; Chen, Peng; Huang, Tingting; Chen, Hui; Wang, Qi-Qiang; Wang, De-Xian; Wang, Mei-Xiang Reversal and Amplification of the Enantioselectivity of Biocatalytic Desymmetrization toward Meso Heterocyclic Dicarboxamides Enabled by Rational Engineering of Amidase ACS Catalysis, 2021, 6900-6907 |
| 4518762 | CIF | C18 H46 B Mn O2 P4 | P 1 21/c 1 | 9.1864; 20.8702; 13.5759 90; 101.606; 90 | 2549.58 | Britton, Luke; Skrodzki, Maciej; Nichol, Gary S.; Dominey, Andrew P.; Pawluć, Piotr; Docherty, Jamie H.; Thomas, Stephen P. Manganese-Catalyzed C(sp2)‒H Borylation of Furan and Thiophene Derivatives ACS Catalysis, 2021, 6857-6864 |
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