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 |
|---|---|---|---|---|---|---|
| 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 |
| 4518763 | CIF | C22 H42 B Mn N2 P4 | P -1 | 10.4506; 11.3275; 13.0799 67.787; 86.307; 71.524 | 1356.88 | 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 |
| 4518764 | CIF | C24 H25 N O3 | P 1 21 1 | 11.2079; 7.4007; 12.3548 90; 107.452; 90 | 977.61 | Zou, Chuncheng; Yang, Lei; Zhang, Lei; Liu, Chengyu; Ma, Yueyue; Song, Gonghua; Liu, Zhen; Cheng, Ruihua; Ye, Jinxing Enantioselective Vinylogous Conia-Ene Reaction Catalyzed by a Disilver(I)/Bisdiamine Complex ACS Catalysis, 2021, 6865-6871 |
| 4518765 | CIF | C14 H27 Ag F6 N3 O4 S2 | P 43 21 2 | 18.9333; 18.9333; 13.1408 90; 90; 90 | 4710.6 | Zou, Chuncheng; Yang, Lei; Zhang, Lei; Liu, Chengyu; Ma, Yueyue; Song, Gonghua; Liu, Zhen; Cheng, Ruihua; Ye, Jinxing Enantioselective Vinylogous Conia-Ene Reaction Catalyzed by a Disilver(I)/Bisdiamine Complex ACS Catalysis, 2021, 6865-6871 |
| 4518766 | CIF | C21 H20 O | P 1 | 6.9069; 7.5708; 15.0339 89.354; 84.929; 87.912 | 782.51 | Zou, Chuncheng; Yang, Lei; Zhang, Lei; Liu, Chengyu; Ma, Yueyue; Song, Gonghua; Liu, Zhen; Cheng, Ruihua; Ye, Jinxing Enantioselective Vinylogous Conia-Ene Reaction Catalyzed by a Disilver(I)/Bisdiamine Complex ACS Catalysis, 2021, 6865-6871 |
| 4518767 | CIF | C27 H48 Ca N4 | P -1 | 9.9232; 13.1316; 14.5808 115.22; 107.436; 94.04 | 1596.11 | Li, Tao; McCabe, Karl N.; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng Organocalcium Complex-Catalyzed Selective Redistribution of ArSiH3 or Ar(alkyl)SiH2 to Ar3SiH or Ar2(alkyl)SiH ACS Catalysis, 2021, 6348-6356 |
| 4518768 | CIF | C31 H58 Ca N4 Si | P -1 | 10.0487; 11.1824; 17.1691 84.698; 84.857; 76.81 | 1865.65 | Li, Tao; McCabe, Karl N.; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng Organocalcium Complex-Catalyzed Selective Redistribution of ArSiH3 or Ar(alkyl)SiH2 to Ar3SiH or Ar2(alkyl)SiH ACS Catalysis, 2021, 6348-6356 |
| 4518769 | CIF | C28 H52 Ca N4 Si | P b c a | 14.0817; 20.8984; 21.3489 90; 90; 90 | 6282.7 | Li, Tao; McCabe, Karl N.; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng Organocalcium Complex-Catalyzed Selective Redistribution of ArSiH3 or Ar(alkyl)SiH2 to Ar3SiH or Ar2(alkyl)SiH ACS Catalysis, 2021, 6348-6356 |
| 4518770 | CIF | C48 H84 Ca2 N8 | F d d 2 | 19.5031; 49.3831; 13.0859 90; 90; 90 | 12603.3 | Li, Tao; McCabe, Karl N.; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng Organocalcium Complex-Catalyzed Selective Redistribution of ArSiH3 or Ar(alkyl)SiH2 to Ar3SiH or Ar2(alkyl)SiH ACS Catalysis, 2021, 6348-6356 |
| 4518777 | CIF | C151 H130 Cl5 Ir0.5 N7.5 O40 Zr12 | F m -3 m | 43.339; 43.339; 43.339 90; 90; 90 | 81402 | Qi, Xiangjuan; Zhong, Ronglin; Chen, Mengmeng; Sun, Chunyi; You, Siqi; Gu, Jianxia; Shan, Guogang; Cui, Dongxu; Wang, Xinlong; Su, Zhongmin Single Metal‒Organic Cage Decorated with an Ir(III) Complex for CO2 Photoreduction ACS Catalysis, 2021, 11, 7241-7248 |
| 4518787 | CIF | C18 H14 B F2 N | P 1 21 1 | 13.347; 7.9177; 13.683 90; 91.98; 90 | 1445.1 | Song, Peidong; Hu, Linlin; Yu, Tao; Jiao, Jiao; He, Yangqing; Xu, Liang; Li, Pengfei Development of a Tunable Chiral Pyridine Ligand Unit for Enantioselective Iridium-Catalyzed C‒H Borylation ACS Catalysis, 2021, 11, 7339-7349 |
| 4518788 | CIF | C24 H26 B N O2 | P -1 | 7.791; 10.316; 13.717 72.903; 78.602; 70.427 | 986.8 | Song, Peidong; Hu, Linlin; Yu, Tao; Jiao, Jiao; He, Yangqing; Xu, Liang; Li, Pengfei Development of a Tunable Chiral Pyridine Ligand Unit for Enantioselective Iridium-Catalyzed C‒H Borylation ACS Catalysis, 2021, 11, 7339-7349 |
| 4518789 | CIF | C20 H18 Cl N O2 | P 21 21 21 | 8.2846; 11.5452; 17.4901 90; 90; 90 | 1672.88 | Song, Peidong; Hu, Linlin; Yu, Tao; Jiao, Jiao; He, Yangqing; Xu, Liang; Li, Pengfei Development of a Tunable Chiral Pyridine Ligand Unit for Enantioselective Iridium-Catalyzed C‒H Borylation ACS Catalysis, 2021, 11, 7339-7349 |
| 4518790 | CIF | C3.67 H3.67 Cl0.33 N0.33 O0.67 | P 1 21/c 1 | 7.738; 11.313; 11.517 90; 95.132; 90 | 1004.2 | Song, Peidong; Hu, Linlin; Yu, Tao; Jiao, Jiao; He, Yangqing; Xu, Liang; Li, Pengfei Development of a Tunable Chiral Pyridine Ligand Unit for Enantioselective Iridium-Catalyzed C‒H Borylation ACS Catalysis, 2021, 11, 7339-7349 |
| 4518791 | CIF | C54 H60 P4 Re2 | P -1 | 9.3814; 12.2395; 21.7629 85.937; 85.118; 71.918 | 2364.26 | Donnelly, Liam J.; Faber, Teresa; Morrison, Carole A.; Nichol, Gary S.; Thomas, Stephen P.; Love, Jason B. C‒H Borylation Catalysis of Heteroaromatics by a Rhenium Boryl Polyhydride ACS Catalysis, 2021, 11, 7394-7400 |
| 4518792 | CIF | C45 H67 B K O8 P2 Re | P 1 21/n 1 | 12.9998; 29.3027; 14.5738 90; 102.888; 90 | 5411.73 | Donnelly, Liam J.; Faber, Teresa; Morrison, Carole A.; Nichol, Gary S.; Thomas, Stephen P.; Love, Jason B. C‒H Borylation Catalysis of Heteroaromatics by a Rhenium Boryl Polyhydride ACS Catalysis, 2021, 11, 7394-7400 |
| 4518793 | CIF | C40 H52 B O2 P2 Re | P b c a | 11.5282; 24.9634; 26.1194 90; 90; 90 | 7516.7 | Donnelly, Liam J.; Faber, Teresa; Morrison, Carole A.; Nichol, Gary S.; Thomas, Stephen P.; Love, Jason B. C‒H Borylation Catalysis of Heteroaromatics by a Rhenium Boryl Polyhydride ACS Catalysis, 2021, 11, 7394-7400 |
| 4518810 | CIF | C19 H13 Cl5 N4 Zn | P -1 | 9.167; 9.525; 11.969 79.705; 87.577; 80.445 | 1013.9 | Das, Siuli; Mondal, Rakesh; Chakraborty, Gargi; Guin, Amit Kumar; Das, Abhishek; Paul, Nanda D. Zinc Stabilized Azo-anion Radical in Dehydrogenative Synthesis of N-Heterocycles. An Exclusively Ligand Centered Redox Controlled Approach ACS Catalysis, 2021, 11, 7498-7512 |
| 4518811 | CIF | C40 H54 N3 O Rh | P 1 21/c 1 | 11.2672; 10.7013; 29.775 90; 90.307; 90 | 3590 | Galiana-Cameo, María; Urriolabeitia, Asier; Barrenas, Eduardo; Passarelli, Vincenzo; Pérez-Torrente, Jesús J.; Di Giuseppe, Andrea; Polo, Víctor; Castarlenas, Ricardo Metal‒Ligand Cooperative Proton Transfer as an Efficient Trigger for Rhodium-NHC-Pyridonato Catalyzed gem-Specific Alkyne Dimerization ACS Catalysis, 2021, 11, 7553-7567 |
| 4518820 | CIF | C17 H18 O3 | P 21 21 21 | 6.5335; 9.7082; 21.2586 90; 90; 90 | 1348.4 | Xu, Hao; Tan, Yun-Xuan; Xie, Pei-Pei; Ding, Rui; Liao, Qi; Zhang, Jian-Wei; Li, Qing-Hua; Wang, Yu-Hui; Hong, Xin; Lin, Guo-Qiang; Tian, Ping Rhodium(III)-Catalyzed Asymmetric Reductive Cyclization of Cyclohexadienone-Containing 1,6-Dienes via an Anti-Michael/Michael Cascade Process ACS Catalysis, 2021, 11, 8015-8022 |
| 4518821 | CIF | C13 H18 O3 | P 21 21 21 | 5.5908; 12.4361; 16.2473 90; 90; 90 | 1129.64 | Xu, Hao; Tan, Yun-Xuan; Xie, Pei-Pei; Ding, Rui; Liao, Qi; Zhang, Jian-Wei; Li, Qing-Hua; Wang, Yu-Hui; Hong, Xin; Lin, Guo-Qiang; Tian, Ping Rhodium(III)-Catalyzed Asymmetric Reductive Cyclization of Cyclohexadienone-Containing 1,6-Dienes via an Anti-Michael/Michael Cascade Process ACS Catalysis, 2021, 11, 8015-8022 |
| 4518822 | CIF | C15 H22 O4 | P 1 21 1 | 9.7823; 6.7565; 11.0023 90; 90.42; 90 | 727.17 | Xu, Hao; Tan, Yun-Xuan; Xie, Pei-Pei; Ding, Rui; Liao, Qi; Zhang, Jian-Wei; Li, Qing-Hua; Wang, Yu-Hui; Hong, Xin; Lin, Guo-Qiang; Tian, Ping Rhodium(III)-Catalyzed Asymmetric Reductive Cyclization of Cyclohexadienone-Containing 1,6-Dienes via an Anti-Michael/Michael Cascade Process ACS Catalysis, 2021, 11, 8015-8022 |
| 4518823 | CIF | C17 H20 O3 | P 21 21 21 | 5.5111; 13.0823; 19.6436 90; 90; 90 | 1416.26 | Xu, Hao; Tan, Yun-Xuan; Xie, Pei-Pei; Ding, Rui; Liao, Qi; Zhang, Jian-Wei; Li, Qing-Hua; Wang, Yu-Hui; Hong, Xin; Lin, Guo-Qiang; Tian, Ping Rhodium(III)-Catalyzed Asymmetric Reductive Cyclization of Cyclohexadienone-Containing 1,6-Dienes via an Anti-Michael/Michael Cascade Process ACS Catalysis, 2021, 11, 8015-8022 |
| 4518824 | CIF | C15 H22 O4 | P 21 21 21 | 6.5561; 10.1014; 22.992 90; 90; 90 | 1522.7 | Xu, Hao; Tan, Yun-Xuan; Xie, Pei-Pei; Ding, Rui; Liao, Qi; Zhang, Jian-Wei; Li, Qing-Hua; Wang, Yu-Hui; Hong, Xin; Lin, Guo-Qiang; Tian, Ping Rhodium(III)-Catalyzed Asymmetric Reductive Cyclization of Cyclohexadienone-Containing 1,6-Dienes via an Anti-Michael/Michael Cascade Process ACS Catalysis, 2021, 11, 8015-8022 |
| 4518825 | CIF | C17 H18 O3 | P 1 21 1 | 7.7829; 6.2561; 14.2118 90; 91.797; 90 | 691.64 | Xu, Hao; Tan, Yun-Xuan; Xie, Pei-Pei; Ding, Rui; Liao, Qi; Zhang, Jian-Wei; Li, Qing-Hua; Wang, Yu-Hui; Hong, Xin; Lin, Guo-Qiang; Tian, Ping Rhodium(III)-Catalyzed Asymmetric Reductive Cyclization of Cyclohexadienone-Containing 1,6-Dienes via an Anti-Michael/Michael Cascade Process ACS Catalysis, 2021, 11, 8015-8022 |
| 4518826 | CIF | C16 H19 Br Mn N3 O3 | P 65 | 10.2602; 10.2602; 61.043 90; 90; 120 | 5565.2 | Wang, Lixian; Lin, Jin; Sun, Qiangsheng; Xia, Chungu; Sun, Wei Amino Acid Derived Chiral Aminobenzimidazole Manganese Catalysts for Asymmetric Transfer Hydrogenation of Ketones ACS Catalysis, 2021, 11, 8033-8041 |
| 4518827 | CIF | C21 H19 Br Mn N3 O3 | P 21 21 21 | 13.1249; 18.8575; 20.0527 90; 90; 90 | 4963.1 | Wang, Lixian; Lin, Jin; Sun, Qiangsheng; Xia, Chungu; Sun, Wei Amino Acid Derived Chiral Aminobenzimidazole Manganese Catalysts for Asymmetric Transfer Hydrogenation of Ketones ACS Catalysis, 2021, 11, 8033-8041 |
| 4518828 | CIF | C55 H61 Hf N O2 | C 1 2/c 1 | 29.0406; 16.9643; 19.5677 90; 102.448; 90 | 9413.5 | Goryunov, Georgy P.; Sharikov, Mikhail I.; Iashin, Andrei N.; Canich, Jo Ann M.; Mattler, Sarah J.; Hagadorn, John R.; Uborsky, Dmitry V.; Voskoboynikov, Alexander Z. Rigid Postmetallocene Catalysts for Propylene Polymerization: Ligand Design Prevents the Temperature-Dependent Loss of Stereo- and Regioselectivities ACS Catalysis, 2021, 11, 8079-8086 |
| 4518829 | CIF | C22 H29 Cl N4 O2 | P 21 21 21 | 10.9084; 11.7353; 16.7685 90; 90; 90 | 2146.59 | Xie, Ming-Sheng; Li, Ning; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming Dynamic Kinetic Resolution of Carboxylic Esters Catalyzed by Chiral PPY N-Oxides: Synthesis of Nonsteroidal Anti-Inflammatory Drugs and Mechanistic Insights ACS Catalysis, 2021, 11, 8183-8196 |
| 4518830 | CIF | C23 H24 Cl N3 O3 | P 43 | 19.2893; 19.2893; 6.0504 90; 90; 90 | 2251.22 | Xie, Ming-Sheng; Li, Ning; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming Dynamic Kinetic Resolution of Carboxylic Esters Catalyzed by Chiral PPY N-Oxides: Synthesis of Nonsteroidal Anti-Inflammatory Drugs and Mechanistic Insights ACS Catalysis, 2021, 11, 8183-8196 |
| 4518831 | CIF | C55 H65 Cl3 N8 O5 | P 21 21 21 | 14.6667; 15.3682; 23.1466 90; 90; 90 | 5217.26 | Xie, Ming-Sheng; Li, Ning; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming Dynamic Kinetic Resolution of Carboxylic Esters Catalyzed by Chiral PPY N-Oxides: Synthesis of Nonsteroidal Anti-Inflammatory Drugs and Mechanistic Insights ACS Catalysis, 2021, 11, 8183-8196 |
| 4518848 | CIF | C35 H35 Cl3 F3 O10 P3 Pt S | P -1 | 17.1276; 17.7163; 17.8919 112.381; 115.776; 90.585 | 4418.7 | Li, Chengcheng; Chang, Xiao-Yong; Huo, Luqiong; Tan, Haibo; Xing, Xiangyou; Xu, Chen Hydration of Cyanohydrins by Highly Active Cationic Pt Catalysts: Mechanism and Scope ACS Catalysis, 2021, 11, 8716-8726 |
| 4518849 | CIF | C38 H35 F6 Fe O7 P3 Pt S2 | P -1 | 9.3276; 10.4475; 21.4237 98.845; 100.326; 94.635 | 2016.9 | Li, Chengcheng; Chang, Xiao-Yong; Huo, Luqiong; Tan, Haibo; Xing, Xiangyou; Xu, Chen Hydration of Cyanohydrins by Highly Active Cationic Pt Catalysts: Mechanism and Scope ACS Catalysis, 2021, 11, 8716-8726 |
| 4518850 | CIF | C55.5 H51 F6 Fe I N O7 P3 Pt S2 | P -1 | 12.0101; 13.0185; 20.5982 89.708; 73.604; 66.285 | 2807.1 | Li, Chengcheng; Chang, Xiao-Yong; Huo, Luqiong; Tan, Haibo; Xing, Xiangyou; Xu, Chen Hydration of Cyanohydrins by Highly Active Cationic Pt Catalysts: Mechanism and Scope ACS Catalysis, 2021, 11, 8716-8726 |
| 4518851 | CIF | C34 H32 Cl4 F3 O4 P3 Pt S | P 1 21/n 1 | 14.8139; 9.5761; 27.8457 90; 102.566; 90 | 3855.6 | Li, Chengcheng; Chang, Xiao-Yong; Huo, Luqiong; Tan, Haibo; Xing, Xiangyou; Xu, Chen Hydration of Cyanohydrins by Highly Active Cationic Pt Catalysts: Mechanism and Scope ACS Catalysis, 2021, 11, 8716-8726 |
| 4518852 | CIF | C38 H35 Cl3 F3 O4 P3 Pt S | P -1 | 11.1267; 13.0225; 28.766 102.068; 96.51; 93.444 | 4034.6 | Li, Chengcheng; Chang, Xiao-Yong; Huo, Luqiong; Tan, Haibo; Xing, Xiangyou; Xu, Chen Hydration of Cyanohydrins by Highly Active Cationic Pt Catalysts: Mechanism and Scope ACS Catalysis, 2021, 11, 8716-8726 |
| 4518853 | CIF | C16 H15 N | P 43 | 9.9852; 9.9852; 12.768 90; 90; 90 | 1273.02 | Pan, Yongkai; Wang, Donglei; Chen, Yunrong; Zhang, DeKun; Liu, Wei; Yang, Xiaoyu Kinetic Resolution of α-Tertiary Propargylic Amines through Asymmetric Remote Aminations of Anilines ACS Catalysis, 2021, 8443-8448 |
| 4518854 | CIF | C17 H15 F3 O | P 1 21 1 | 9.2006; 6.3392; 12.694 90; 94.419; 90 | 738.2 | Zhang, Xinyu; Tian, Chunqi; Wang, Zhanjing; Sivaguru, Paramasivam; Nolan, Steven P.; Bi, Xihe Fluoroalkyl N-Triftosylhydrazones as Easily Decomposable Diazo Surrogates for Asymmetric [2 + 1] Cycloaddition: Synthesis of Chiral Fluoroalkyl Cyclopropenes and Cyclopropanes ACS Catalysis, 2021, 8527-8537 |
| 4518855 | CIF | C22 H15 F3 N0 O0 | P 1 | 6.3512; 15.7186; 17.6114 95.974; 99.576; 94.985 | 1714.5 | Zhang, Xinyu; Tian, Chunqi; Wang, Zhanjing; Sivaguru, Paramasivam; Nolan, Steven P.; Bi, Xihe Fluoroalkyl N-Triftosylhydrazones as Easily Decomposable Diazo Surrogates for Asymmetric [2 + 1] Cycloaddition: Synthesis of Chiral Fluoroalkyl Cyclopropenes and Cyclopropanes ACS Catalysis, 2021, 8527-8537 |
| 4518856 | CIF | C56 H72 Cl2 F6 N2 O6 P2 Pd2 S2 | P -1 | 10.4985; 11.4124; 13.4302 79.15; 89.525; 79.395 | 1552.8 | So, Chau Ming; Yuen, On Ying; Ng, Shan Shan; Chen, Zicong General Chemoselective Suzuki‒Miyaura Coupling of Polyhalogenated Aryl Triflates Enabled by an Alkyl-Heteroaryl-Based Phosphine Ligand ACS Catalysis, 2021, 11, 7820-7827 |
| 4518857 | CIF | C73 H88 B2 N4 Na O5 Rh S2 | P 1 21/c 1 | 18.9569; 14.9929; 23.8375 90; 104.419; 90 | 6561.7 | Barlow, Jeffrey M.; Ziller, Joseph W.; Yang, Jenny Y. Inhibiting the Hydrogen Evolution Reaction (HER) with Proximal Cations: A Strategy for Promoting Selective Electrocatalytic Reduction ACS Catalysis, 2021, 11, 8155-8164 |
| 4518858 | CIF | C9 H19 B F4 N O Rh S2 | P -1 | 8.2674; 9.8268; 10.9563 116.565; 96.392; 103.022 | 752.35 | Barlow, Jeffrey M.; Ziller, Joseph W.; Yang, Jenny Y. Inhibiting the Hydrogen Evolution Reaction (HER) with Proximal Cations: A Strategy for Promoting Selective Electrocatalytic Reduction ACS Catalysis, 2021, 11, 8155-8164 |
| 4518859 | CIF | C25 H43 B F4 Mn N O2 P2 | P n a 21 | 16.3353; 14.4426; 12.0371 90; 90; 90 | 2839.8 | Schlenker, Kevin; Christensen, Elizabeth G.; Zhanserkeev, Asylbek A.; McDonald, Gabriel R.; Yang, Emily L.; Lutz, Kevin T.; Steele, Ryan P.; VanderLinden, Ryan T.; Saouma, Caroline T. Role of Ligand-Bound CO2 in the Hydrogenation of CO2 to Formate with a (PNP)Mn Catalyst ACS Catalysis, 2021, 11, 8358-8369 |
| 4518860 | CIF | C30 H50 Mn N O5 P2 | P 1 21/c 1 | 17.7198; 12.1114; 15.6986 90; 112.202; 90 | 3119.3 | Schlenker, Kevin; Christensen, Elizabeth G.; Zhanserkeev, Asylbek A.; McDonald, Gabriel R.; Yang, Emily L.; Lutz, Kevin T.; Steele, Ryan P.; VanderLinden, Ryan T.; Saouma, Caroline T. Role of Ligand-Bound CO2 in the Hydrogenation of CO2 to Formate with a (PNP)Mn Catalyst ACS Catalysis, 2021, 11, 8358-8369 |
| 4518861 | CIF | C32 H54 K Mn N O5.5 P2 | P -1 | 14.762; 15.414; 19.157 104.574; 100.59; 113.484 | 3666 | Schlenker, Kevin; Christensen, Elizabeth G.; Zhanserkeev, Asylbek A.; McDonald, Gabriel R.; Yang, Emily L.; Lutz, Kevin T.; Steele, Ryan P.; VanderLinden, Ryan T.; Saouma, Caroline T. Role of Ligand-Bound CO2 in the Hydrogenation of CO2 to Formate with a (PNP)Mn Catalyst ACS Catalysis, 2021, 11, 8358-8369 |
| 4518862 | CIF | C58 H105 K Mn N O15 P2 | C 1 2/c 1 | 40.52; 11.0361; 29.824 90; 99.137; 90 | 13168 | Schlenker, Kevin; Christensen, Elizabeth G.; Zhanserkeev, Asylbek A.; McDonald, Gabriel R.; Yang, Emily L.; Lutz, Kevin T.; Steele, Ryan P.; VanderLinden, Ryan T.; Saouma, Caroline T. Role of Ligand-Bound CO2 in the Hydrogenation of CO2 to Formate with a (PNP)Mn Catalyst ACS Catalysis, 2021, 11, 8358-8369 |
| 4518870 | CIF | C22 H17 N O4 | P 1 21 1 | 5.9302; 21.3945; 13.9168 90; 95.871; 90 | 1756.41 | Medina-Mercado, Ignacio; Colin-Molina, Abraham; Barquera-Lozada, José Enrique; Rodríguez-Molina, Braulio; Porcel, Susana Gold-Catalyzed Ascorbic Acid-Induced Arylative Carbocyclization of Alkynes with Aryldiazonium Tetrafluoroborates ACS Catalysis, 2021, 8968-8977 |
| 4518871 | CIF | C22 H17 N O4 | P -1 | 6.2331; 10.6409; 14.154 100.755; 94.852; 105.369 | 880.4 | Medina-Mercado, Ignacio; Colin-Molina, Abraham; Barquera-Lozada, José Enrique; Rodríguez-Molina, Braulio; Porcel, Susana Gold-Catalyzed Ascorbic Acid-Induced Arylative Carbocyclization of Alkynes with Aryldiazonium Tetrafluoroborates ACS Catalysis, 2021, 8968-8977 |
| 4518872 | CIF | C100 H100 Ir4 N16 O2 | P 1 21/c 1 | 11.4744; 17.1601; 12.5381 90; 113.976; 90 | 2255.76 | Alshakova, Iryna D.; Albrecht, Martin Cascade Reductive Friedel‒Crafts Alkylation Catalyzed by Robust Iridium(III) Hydride Complexes Containing a Protic Triazolylidene Ligand ACS Catalysis, 2021, 8999-9007 |
| 4518873 | CIF | C24 H26 Cl Ir N4 O | P b c a | 10.5762; 12.2061; 34.8949 90; 90; 90 | 4504.73 | Alshakova, Iryna D.; Albrecht, Martin Cascade Reductive Friedel‒Crafts Alkylation Catalyzed by Robust Iridium(III) Hydride Complexes Containing a Protic Triazolylidene Ligand ACS Catalysis, 2021, 8999-9007 |
| 4518874 | CIF | C23 H23 Br Cl Ir N4 | P b c a | 18.708; 9.78149; 24.7192 90; 90; 90 | 4523.42 | Alshakova, Iryna D.; Albrecht, Martin Cascade Reductive Friedel‒Crafts Alkylation Catalyzed by Robust Iridium(III) Hydride Complexes Containing a Protic Triazolylidene Ligand ACS Catalysis, 2021, 8999-9007 |
| 4518875 | CIF | C28 H27 Ir N4 O2 | P 1 21/c 1 | 9.3205; 24.9862; 15.3632 90; 131.483; 90 | 2680.35 | Alshakova, Iryna D.; Albrecht, Martin Cascade Reductive Friedel‒Crafts Alkylation Catalyzed by Robust Iridium(III) Hydride Complexes Containing a Protic Triazolylidene Ligand ACS Catalysis, 2021, 8999-9007 |
| 4518876 | CIF | C55 H60 F9 Ir2 N10 O12 S3 | P -1 | 11.74509; 12.84178; 22.3981 83.3036; 84.813; 72.8119 | 3199.79 | Alshakova, Iryna D.; Albrecht, Martin Cascade Reductive Friedel‒Crafts Alkylation Catalyzed by Robust Iridium(III) Hydride Complexes Containing a Protic Triazolylidene Ligand ACS Catalysis, 2021, 8999-9007 |
| 4518880 | CIF | C44 H47 Mn N4 O S4 | P 1 21/n 1 | 13.8594; 19.0914; 16.2268 90; 103; 90 | 4183.5 | Elsby, Matthew R.; Son, Mina; Oh, Changjin; Martin, Jessica; Baik, Mu-Hyun; Baker, R. Tom Mechanistic Study of Metal‒Ligand Cooperativity in Mn(II)-Catalyzed Hydroborations: Hemilabile SNS Ligand Enables Metal Hydride-Free Reaction Pathway ACS Catalysis, 2021, 9043-9051 |
| 4518881 | CIF | C30 H32 Mn N2 S4 | P -1 | 11.3144; 11.4859; 12.22 88.259; 81.481; 65.401 | 1427.1 | Elsby, Matthew R.; Son, Mina; Oh, Changjin; Martin, Jessica; Baik, Mu-Hyun; Baker, R. Tom Mechanistic Study of Metal‒Ligand Cooperativity in Mn(II)-Catalyzed Hydroborations: Hemilabile SNS Ligand Enables Metal Hydride-Free Reaction Pathway ACS Catalysis, 2021, 9043-9051 |
| 4518882 | CIF | C31 H34 N2 O4 Si | P -1 | 9.3942; 10.1393; 16.2354 97.191; 100.275; 105.856 | 1438.82 | Wang, Jinlei; Chen, Haohua; Kong, Lingheng; Wang, Fen; Lan, Yu; Li, Xingwei Enantioselective and Diastereoselective C‒H Alkylation of Benzamides: Synergized Axial and Central Chirality via a Single Stereodetermining Step ACS Catalysis, 2021, 9151-9158 |
| 4518886 | CIF | C28 H25 N O2 | P 1 21/c 1 | 18.627; 6.7071; 17.181 90; 95.763; 90 | 2135.6 | Yang, Jian; Zhao, He; Tan, Zhenda; Cao, Liang; Jiang, Huanfeng; Ci, Chenggang; Dixneuf, Pierre H.; Zhang, Min syn-Selective Construction of Fused Heterocycles by Catalytic Reductive Tandem Functionalization of N-Heteroarenes ACS Catalysis, 2021, 9271-9278 |
| 4518893 | CIF | C76 H70 Cl10 Li2 N2 O10 Ru2 | P 1 21/n 1 | 17.7594; 10.3516; 21.1291 90; 98.278; 90 | 3843.9 | Chen, Qiongyao; Shen, Chaoren; Zhu, Gangli; Zhang, Xuehua; Lv, Chun-Lin; Zeng, Bo; Wang, Sen; Li, Junfen; Fan, Weibin; He, Lin Selectivity Switching of CO2 Hydrogenation from HCOOH to CO with an In Situ Formed Ru‒Li Complex ACS Catalysis, 2021, 9390-9396 |
| 4518897 | CIF | C36 H38 N4 O9 | P 21 21 21 | 10.9971; 12.8967; 23.2972 90; 90; 90 | 3304.16 | Yasui, Takeshi; Tatsumi, Rine; Yamamoto, Yoshihiko Highly Enantioselective [2+2+2] Cycloaddition of Enediynes Enabled by Cobalt/Organophotoredox Cooperative Catalysis ACS Catalysis, 2021, 9479-9484 |
| 4518899 | CIF | C29 H25 F N2 O4 S | C 1 c 1 | 17.5115; 10.169; 15.2635 90; 112.764; 90 | 2506.32 | Herbort, James H.; Lalisse, Remy F.; Hadad, Christopher M.; RajanBabu, T. V. Cationic Co(I) Catalysts for Regiodivergent Hydroalkenylation of 1,6-Enynes: An Uncommon cis-β-C‒H Activation Leads to Z-Selective Coupling of Acrylates ACS Catalysis, 2021, 9605-9617 |
| 4518900 | CIF | C21 H23 N O2 S | C 1 c 1 | 15.1894; 15.9729; 15.9472 90; 90.194; 90 | 3869.1 | Herbort, James H.; Lalisse, Remy F.; Hadad, Christopher M.; RajanBabu, T. V. Cationic Co(I) Catalysts for Regiodivergent Hydroalkenylation of 1,6-Enynes: An Uncommon cis-β-C‒H Activation Leads to Z-Selective Coupling of Acrylates ACS Catalysis, 2021, 9605-9617 |
| 4518901 | CIF | C24 H26 F N O4 S | P -1 | 9.641; 10.3467; 13.3148 109.229; 111.165; 92.216 | 1150.61 | Herbort, James H.; Lalisse, Remy F.; Hadad, Christopher M.; RajanBabu, T. V. Cationic Co(I) Catalysts for Regiodivergent Hydroalkenylation of 1,6-Enynes: An Uncommon cis-β-C‒H Activation Leads to Z-Selective Coupling of Acrylates ACS Catalysis, 2021, 9605-9617 |
| 4518902 | CIF | C24 H26 F N O4 S | P -1 | 6.9804; 11.6735; 13.864 87.741; 84.853; 74.465 | 1083.92 | Herbort, James H.; Lalisse, Remy F.; Hadad, Christopher M.; RajanBabu, T. V. Cationic Co(I) Catalysts for Regiodivergent Hydroalkenylation of 1,6-Enynes: An Uncommon cis-β-C‒H Activation Leads to Z-Selective Coupling of Acrylates ACS Catalysis, 2021, 9605-9617 |
| 4518903 | CIF | C8 H6 N2 O2 | P 1 21/c 1 | 8.4501; 5.9208; 15.748 90; 99.991; 90 | 775.9 | Wu, Cunluo; Bian, Qilong; Ding, Tao; Tang, Mingming; Zhang, Wenkai; Xu, Yuanqing; Liu, Baoying; Xu, Hao; Li, Hai-Bei; Fu, Hua Photoinduced Iron-Catalyzed ipso-Nitration of Aryl Halides via Single-Electron Transfer ACS Catalysis, 2021, 9561-9568 |
| 4518905 | CIF | C22 H30 Cl2 Pd2 S2 | P 1 21/n 1 | 9.3857; 9.9771; 13.2225 90; 100.721; 90 | 1216.57 | Saint-Denis, Tyler G.; Lam, Nelson Y. S.; Chekshin, Nikita; Richardson, Paul F.; Chen, Jason S.; Elleraas, Jeff; Hesp, Kevin D.; Schmitt, Daniel C.; Lian, Yajing; Huh, Chan Woo; Yu, Jin-Quan Mechanistic Study of Enantioselective Pd-Catalyzed C(sp3)‒H Activation of Thioethers Involving Two Distinct Stereomodels ACS Catalysis, 2021, 9738-9753 |
| 4518906 | CIF | C64 H96 O8 Pd4 S4 | P -1 | 10.4226; 10.7688; 16.5741 95.359; 97.322; 110.059 | 1714.3 | Saint-Denis, Tyler G.; Lam, Nelson Y. S.; Chekshin, Nikita; Richardson, Paul F.; Chen, Jason S.; Elleraas, Jeff; Hesp, Kevin D.; Schmitt, Daniel C.; Lian, Yajing; Huh, Chan Woo; Yu, Jin-Quan Mechanistic Study of Enantioselective Pd-Catalyzed C(sp3)‒H Activation of Thioethers Involving Two Distinct Stereomodels ACS Catalysis, 2021, 9738-9753 |
| 4518921 | CIF | C25 H23 N3 O | P 21 21 21 | 9.436; 9.724; 22.389 90; 90; 90 | 2054.3 | Song, Yulong; Fu, Chunling; Ma, Shengming Copper-Catalyzed Syntheses of Multiple Functionalizatized Allenes via Three-Component Reaction of Enynes ACS Catalysis, 2021, 10007-10013 |
| 4518924 | CIF | C28 H25 N O3 | P 21 21 21 | 25.0296; 21.4254; 8.35199 90; 90; 90 | 4478.91 | Huang, Qian-Wei; Qi, Ting; Liu, Yue; Zhang, Xiang; Li, Qing-Zhu; Gou, Chuan; Tao, Ying-Mao; Leng, Hai-Jun; Li, Jun-Long Lewis Acid/Brønsted Base-Assisted Palladium Catalysis: Stereoselective Construction of Skeletally Diverse Spiro-Ketolactams from Vinylethylene Carbonates ACS Catalysis, 2021, 10148-10158 |
| 4518925 | CIF | C29 H25 Cl4 N O3 | P -1 | 10.2188; 10.9667; 13.713 82.201; 85.137; 66.119 | 1391.45 | Huang, Qian-Wei; Qi, Ting; Liu, Yue; Zhang, Xiang; Li, Qing-Zhu; Gou, Chuan; Tao, Ying-Mao; Leng, Hai-Jun; Li, Jun-Long Lewis Acid/Brønsted Base-Assisted Palladium Catalysis: Stereoselective Construction of Skeletally Diverse Spiro-Ketolactams from Vinylethylene Carbonates ACS Catalysis, 2021, 10148-10158 |
| 4518926 | CIF | C20 H36 B2 O4 | P 1 2/n 1 | 19.7295; 6.1575; 19.7303 90; 115.521; 90 | 2163 | Xu, Songgen; Geng, Peiyu; Li, Yuling; Liu, Guixia; Zhang, Lei; Guo, Yinlong; Huang, Zheng Pincer Iron Hydride Complexes for Alkene Isomerization: Catalytic Approach to Trisubstituted (Z)-Alkenyl Boronates ACS Catalysis, 2021, 10138-10147 |
| 4518927 | CIF | C27 H40 Cl2 Fe N3 P | P 1 21 1 | 9.3707; 11.8804; 12.9994 90; 104.809; 90 | 1399.12 | Xu, Songgen; Geng, Peiyu; Li, Yuling; Liu, Guixia; Zhang, Lei; Guo, Yinlong; Huang, Zheng Pincer Iron Hydride Complexes for Alkene Isomerization: Catalytic Approach to Trisubstituted (Z)-Alkenyl Boronates ACS Catalysis, 2021, 10138-10147 |
| 4518934 | CIF | C19 H15 Cl F3 N O | P 21 21 21 | 10.5492; 10.6045; 15.0677 90; 90; 90 | 1685.61 | Xu, Lei; Zhong, Sishi; Yang, Qian; Wei, Jie; Zou, Jiaming; Li, Hongxiang; Cai, Yunfei Catalytic Asymmetric Radical-Mediated Three-Component Piancatelli-Type Rearrangement of Furylalkenes ACS Catalysis, 2021, 11, 10198-10207 |
| 4518935 | CIF | C28 H24 Cl F2 N O3 | P 1 21 1 | 8.6182; 7.3866; 19.3609 90; 93.692; 90 | 1229.94 | Xu, Lei; Zhong, Sishi; Yang, Qian; Wei, Jie; Zou, Jiaming; Li, Hongxiang; Cai, Yunfei Catalytic Asymmetric Radical-Mediated Three-Component Piancatelli-Type Rearrangement of Furylalkenes ACS Catalysis, 2021, 11, 10198-10207 |
| 4518936 | CIF | C39 H42 N4 O4 P2 Rh2 | P 1 21/n 1 | 18.358; 10.6384; 20.055 90; 100.967; 90 | 3845.2 | Lu, Wenkui; Zhu, Xiaoyu; Yang, Liqun; Wu, Xiaoyu; Xie, Xiaomin; Zhang, Zhaoguo Distinct Catalytic Performance of Dirhodium(II) Complexes with ortho-Metalated DPPP in Dehydrosilylation of Styrene Derivatives with Alkoxysilanes ACS Catalysis, 2021, 11, 10190-10197 |
| 4518937 | CIF | C34 H39 O7 P3 Rh2 | P n m a | 9.8701; 21.0572; 16.6273 90; 90; 90 | 3455.76 | Lu, Wenkui; Zhu, Xiaoyu; Yang, Liqun; Wu, Xiaoyu; Xie, Xiaomin; Zhang, Zhaoguo Distinct Catalytic Performance of Dirhodium(II) Complexes with ortho-Metalated DPPP in Dehydrosilylation of Styrene Derivatives with Alkoxysilanes ACS Catalysis, 2021, 11, 10190-10197 |
| 4518939 | CIF | C71 H99 Au2 F8 O2 P2 Sb | P 1 21/n 1 | 15.8193; 16.1233; 28.3586 90; 103.52; 90 | 7032.7 | Daley, Ryan A.; Morrenzin, Aaron S.; Neufeldt, Sharon R.; Topczewski, Joseph J. Mechanistic Investigation into the Gold-Catalyzed Decarboxylative Cross-Coupling of Iodoarenes ACS Catalysis, 2021, 9578-9587 |
| 4518940 | CIF | C42 H50 Au Cl2 F8 N O2 P Sb | P -1 | 11.0822; 11.3847; 18.7298 73.758; 74.18; 89.153 | 2178 | Daley, Ryan A.; Morrenzin, Aaron S.; Neufeldt, Sharon R.; Topczewski, Joseph J. Mechanistic Investigation into the Gold-Catalyzed Decarboxylative Cross-Coupling of Iodoarenes ACS Catalysis, 2021, 9578-9587 |
| 4518941 | CIF | C61 H93 Au2 Cl9 F6 I P2 Sb | P -1 | 15.128; 17.2038; 17.914 111.6; 103.331; 109.325 | 3746.2 | Daley, Ryan A.; Morrenzin, Aaron S.; Neufeldt, Sharon R.; Topczewski, Joseph J. Mechanistic Investigation into the Gold-Catalyzed Decarboxylative Cross-Coupling of Iodoarenes ACS Catalysis, 2021, 9578-9587 |
| 4518942 | CIF | C28 H19 Au F2 I P | P 1 21/n 1 | 16.205; 18.724; 17.194 90; 111.579; 90 | 4851 | Daley, Ryan A.; Morrenzin, Aaron S.; Neufeldt, Sharon R.; Topczewski, Joseph J. Mechanistic Investigation into the Gold-Catalyzed Decarboxylative Cross-Coupling of Iodoarenes ACS Catalysis, 2021, 9578-9587 |
| 4518943 | CIF | C13 H15 N O5 S | P 21 21 21 | 6.653; 6.9677; 27.9699 90; 90; 90 | 1296.58 | Xia, Liwen; Fan, Wenjing; Yuan, Xiang-Ai; Yu, Shouyun Photoredox-Catalyzed Stereoselective Synthesis of C-Nucleoside Analogues from Glycosyl Bromides and Heteroarenes ACS Catalysis, 2021, 9397-9406 |
| 4518944 | CIF | C11 H21 F6 N O4 S2 Sn | I 41/a c d :2 | 16.7483; 16.7483; 28.9201 90; 90; 90 | 8112.2 | Sapsford, Joshua S.; Csókás, Dániel; Turnell-Ritson, Roland C.; Parkin, Liam A.; Crawford, Andrew D.; Pápai, Imre; Ashley, Andrew E. Transition Metal-Free Direct Hydrogenation of Esters via a Frustrated Lewis Pair ACS Catalysis, 2021, 9143-9150 |
| 4518945 | CIF | C23 H31 N O | P 21 21 21 | 5.067; 18.8912; 20.6194 90; 90; 90 | 1973.72 | Zhou, Fang; Zhu, Shaolin Catalytic Asymmetric Hydroalkylation of α,β-Unsaturated Amides Enabled by Regio-Reversed and Enantiodifferentiating syn-Hydronickellation ACS Catalysis, 2021, 11, 8766-8773 |
| 4518946 | CIF | C20 H25 N O | P 32 | 10.1942; 10.1942; 14.1934 90; 90; 120 | 1277.4 | Zhou, Fang; Zhu, Shaolin Catalytic Asymmetric Hydroalkylation of α,β-Unsaturated Amides Enabled by Regio-Reversed and Enantiodifferentiating syn-Hydronickellation ACS Catalysis, 2021, 11, 8766-8773 |
| 4518957 | CIF | C18 H13 N O3 | C 1 2/c 1 | 31.328; 6.6752; 15.866 90; 118.907; 90 | 2904.5 | Guo, Hongyu; Zhang, Sheng; Yu, Xiaoqiang; Feng, Xiujuan; Yamamoto, Yoshinori; Bao, Ming [3 + 2] Cycloaddition of α-Aryl-α-diazoacetates with Terminal Alkynes via the Cooperative Catalysis of Palladium and Acid ACS Catalysis, 2021, 10789-10795 |
| 4518958 | CIF | C18 H13 F3 O2 | C 1 2 1 | 25.918; 5.5061; 10.7277 90; 101.044; 90 | 1502.6 | Guo, Hongyu; Zhang, Sheng; Yu, Xiaoqiang; Feng, Xiujuan; Yamamoto, Yoshinori; Bao, Ming [3 + 2] Cycloaddition of α-Aryl-α-diazoacetates with Terminal Alkynes via the Cooperative Catalysis of Palladium and Acid ACS Catalysis, 2021, 10789-10795 |
| 4518959 | CIF | C18 H17 F6 Fe N3 O9 S2 | P 1 21/n 1 | 10.9903; 15.5335; 14.0576 90; 99.824; 90 | 2364.69 | Nachtigall, Olaf; VanderWeide, Andrew I.; Brennessel, William W.; Jones, William D. An Iron-Based Dehydration Catalyst for Selective Formation of Styrene ACS Catalysis, 2021, 10885-10891 |
| 4518960 | CIF | C30 H41 F6 Fe N3 O11 S2 | P -1 | 10.094; 13.5688; 14.2285 77.548; 80.246; 80.97 | 1860.69 | Nachtigall, Olaf; VanderWeide, Andrew I.; Brennessel, William W.; Jones, William D. An Iron-Based Dehydration Catalyst for Selective Formation of Styrene ACS Catalysis, 2021, 10885-10891 |
| 4518961 | CIF | C18 H21 F6 Fe N3 O11 S2 | P 1 21/c 1 | 13.3968; 9.438; 20.5184 90; 100.509; 90 | 2550.81 | Nachtigall, Olaf; VanderWeide, Andrew I.; Brennessel, William W.; Jones, William D. An Iron-Based Dehydration Catalyst for Selective Formation of Styrene ACS Catalysis, 2021, 10885-10891 |
| 4518962 | CIF | C36 H30 F12 Fe2 N6 O19 S4 | P -1 | 13.3866; 13.6776; 14.4554 97.802; 97.381; 106.208 | 2479.2 | Nachtigall, Olaf; VanderWeide, Andrew I.; Brennessel, William W.; Jones, William D. An Iron-Based Dehydration Catalyst for Selective Formation of Styrene ACS Catalysis, 2021, 10885-10891 |
| 4518963 | CIF | C7 H5 N O2 | P 21 21 21 | 4.4456; 6.653; 21.01 90; 90; 90 | 621.4 | Hasani, Morteza; Kalhor, Hamid R. Enzyme-Inspired Lysine-Modified Carbon Quantum Dots Performing Carbonylation Using Urea and a Cascade Reaction for Synthesizing 2-Benzoxazolinone ACS Catalysis, 2021, 10778-10788 |
| 4518964 | CIF | C46 H46 F6 N6 P Rh | P 1 21/n 1 | 8.7967; 23.7327; 22.4247 90; 95.521; 90 | 4659.9 | Grell, Yvonne; Xie, Xiulan; Ivlev, Sergei I.; Meggers, Eric Enantioselective α-Fluorination and α-Chlorination of N-Acyl Pyrazoles Catalyzed by a Non-C2-Symmetric Chiral-at-Rhodium Catalyst ACS Catalysis, 2021, 11396-11406 |
| 4518965 | CIF | C64 H60 Cl4 N7 O2 Rh | P 21 21 21 | 11.9513; 16.5866; 30.088 90; 90; 90 | 5964.4 | Grell, Yvonne; Xie, Xiulan; Ivlev, Sergei I.; Meggers, Eric Enantioselective α-Fluorination and α-Chlorination of N-Acyl Pyrazoles Catalyzed by a Non-C2-Symmetric Chiral-at-Rhodium Catalyst ACS Catalysis, 2021, 11396-11406 |
| 4518966 | CIF | C84 H132 Cl4 N8 Ni2 | C 1 2 1 | 35.178; 10.1527; 14.771 90; 99.986; 90 | 5195.6 | Cheng, Xiaokai; Li, Tongtong; Liu, Yuting; Lu, Zhan Stereo- and Enantioselective Benzylic C‒H Alkenylation via Photoredox/Nickel Dual Catalysis ACS Catalysis, 2021, 11059-11065 |
| 4518967 | CIF | C24 H32 N2 O2 Pd S2 | P b c a | 10.727; 13.248; 16.141 90; 90; 90 | 2294 | Hao, Wei; Bay, Katherine L.; Harris, Caleb F.; King, Daniel S.; Guzei, Ilia A.; Aristov, Michael M.; Zhuang, Zhe; Plata, R. Erik; Hill, David E.; Houk, K. N.; Berry, John F.; Yu, Jin-Quan; Blackmond, Donna G. Probing Catalyst Speciation in Pd-MPAAM-Catalyzed Enantioselective C(sp3)‒H Arylation: Catalyst Improvement via Destabilization of Off-Cycle Species ACS Catalysis, 2021, 11040-11048 |
| 4518968 | CIF | C24 H32 N2 O2 Pd S2 | P 21 21 21 | 11.017; 14.127; 16.002 90; 90; 90 | 2490.5 | Hao, Wei; Bay, Katherine L.; Harris, Caleb F.; King, Daniel S.; Guzei, Ilia A.; Aristov, Michael M.; Zhuang, Zhe; Plata, R. Erik; Hill, David E.; Houk, K. N.; Berry, John F.; Yu, Jin-Quan; Blackmond, Donna G. Probing Catalyst Speciation in Pd-MPAAM-Catalyzed Enantioselective C(sp3)‒H Arylation: Catalyst Improvement via Destabilization of Off-Cycle Species ACS Catalysis, 2021, 11040-11048 |
| 4518969 | CIF | C52 H76 Cl Li N8 O4 Pd2 | P 31 2 1 | 22.416; 22.416; 24.448 90; 90; 120 | 10639 | Hao, Wei; Bay, Katherine L.; Harris, Caleb F.; King, Daniel S.; Guzei, Ilia A.; Aristov, Michael M.; Zhuang, Zhe; Plata, R. Erik; Hill, David E.; Houk, K. N.; Berry, John F.; Yu, Jin-Quan; Blackmond, Donna G. Probing Catalyst Speciation in Pd-MPAAM-Catalyzed Enantioselective C(sp3)‒H Arylation: Catalyst Improvement via Destabilization of Off-Cycle Species ACS Catalysis, 2021, 11040-11048 |
| 4518970 | CIF | C20 H28 N O2 P Si | P 1 | 7.2482; 9.4977; 16.211 81.234; 84.074; 68.141 | 1022.33 | Zhang, Hongpeng; Zhao, Dongbing Synthesis of Silicon-Stereogenic Silanols Involving Iridium-Catalyzed Enantioselective C‒H Silylation Leading to a New Ligand Scaffold ACS Catalysis, 2021, 10748-10753 |
| 4518971 | CIF | C21 H28 O Si2 | P 21 21 21 | 8.5446; 10.3457; 22.8129 90; 90; 90 | 2016.66 | Zhang, Hongpeng; Zhao, Dongbing Synthesis of Silicon-Stereogenic Silanols Involving Iridium-Catalyzed Enantioselective C‒H Silylation Leading to a New Ligand Scaffold ACS Catalysis, 2021, 10748-10753 |
| 4518972 | CIF | C20 H20 N2 O2 | C 1 2 1 | 16.795; 7.392; 26.651 90; 91.163; 90 | 3308 | Bera, Satabdi; Roy, Saikat; Pal, Shyam Chand; Anoop, Anakuthil; Samanta, Rajarshi Iridium(III)-Catalyzed Intermolecular Mild N-Arylation of Aliphatic Amides Using Quinoid Carbene: A Migratory Insertion-Based Approach ACS Catalysis, 2021, 10847-10854 |
| 4518973 | CIF | C20 H28 Cl Ir N2 O2 | P -1 | 8.3714; 8.8366; 15.5245 94.989; 90.639; 114.72 | 1037.8 | Bera, Satabdi; Roy, Saikat; Pal, Shyam Chand; Anoop, Anakuthil; Samanta, Rajarshi Iridium(III)-Catalyzed Intermolecular Mild N-Arylation of Aliphatic Amides Using Quinoid Carbene: A Migratory Insertion-Based Approach ACS Catalysis, 2021, 10847-10854 |
| 4518974 | CIF | C49 H63 Br0.41 Cl4.59 Ni O5 P2 | P -1 | 10.7812; 12.0641; 22.7561 79.809; 85.532; 69.786 | 2733.2 | Morrison, Kathleen M.; McGuire, Ryan T.; Ferguson, Michael J.; Stradiotto, Mark CgPhen-DalPhos Enables the Nickel-Catalyzed O-Arylation of Tertiary Alcohols with (Hetero)Aryl Electrophiles ACS Catalysis, 2021, 10878-10884 |
| 4518975 | CIF | C60 H64 Cl2 N4 P2 Pd2 | P -1 | 9.487; 10.576; 15.286 96.2; 91.16; 116.58 | 1359.5 | Ence, Chloe C.; Martinez, Erin E.; Himes, Samuel R.; Nazari, S. Hadi; Moreno, Mariur Rodriguez; Matu, Manase F.; Larsen, Samantha G.; Gassaway, Kyle J.; Valdivia-Berroeta, Gabriel A.; Smith, Stacey J.; Ess, Daniel H.; Michaelis, David J. Experiment and Theory of Bimetallic Pd-Catalyzed α-Arylation and Annulation for Naphthalene Synthesis ACS Catalysis, 2021, 11, 10394-10404 |
| 4518976 | CIF | C27 H28.5 B0 Cl3 N2 P Pd1.5 | C 1 2/c 1 | 38.6949; 17.3828; 19.7361 90; 99.654; 90 | 13087 | Ence, Chloe C.; Martinez, Erin E.; Himes, Samuel R.; Nazari, S. Hadi; Moreno, Mariur Rodriguez; Matu, Manase F.; Larsen, Samantha G.; Gassaway, Kyle J.; Valdivia-Berroeta, Gabriel A.; Smith, Stacey J.; Ess, Daniel H.; Michaelis, David J. Experiment and Theory of Bimetallic Pd-Catalyzed α-Arylation and Annulation for Naphthalene Synthesis ACS Catalysis, 2021, 11, 10394-10404 |
| 4518977 | CIF | C62.46 H62.16 Ag0.16 F9.46 I N4 O10.62 P2 Pd2 S3.16 | P -1 | 14.761; 15.803; 17.805 111.215; 104.832; 96.15 | 3649.7 | Ence, Chloe C.; Martinez, Erin E.; Himes, Samuel R.; Nazari, S. Hadi; Moreno, Mariur Rodriguez; Matu, Manase F.; Larsen, Samantha G.; Gassaway, Kyle J.; Valdivia-Berroeta, Gabriel A.; Smith, Stacey J.; Ess, Daniel H.; Michaelis, David J. Experiment and Theory of Bimetallic Pd-Catalyzed α-Arylation and Annulation for Naphthalene Synthesis ACS Catalysis, 2021, 11, 10394-10404 |
| 4518978 | CIF | C29 H31 Cl8 N2 P Pd | P -1 | 10.9294; 12.06; 14.6295 70.649; 71.301; 71.001 | 1670.63 | Ence, Chloe C.; Martinez, Erin E.; Himes, Samuel R.; Nazari, S. Hadi; Moreno, Mariur Rodriguez; Matu, Manase F.; Larsen, Samantha G.; Gassaway, Kyle J.; Valdivia-Berroeta, Gabriel A.; Smith, Stacey J.; Ess, Daniel H.; Michaelis, David J. Experiment and Theory of Bimetallic Pd-Catalyzed α-Arylation and Annulation for Naphthalene Synthesis ACS Catalysis, 2021, 11, 10394-10404 |
| 4518979 | CIF | C20 H17 N O2 | P b c a | 11.5675; 15.2858; 18.2662 90; 90; 90 | 3229.8 | Yanagimoto, Aika; Uwabe, Yota; Wu, Qikun; Muto, Kei; Yamaguchi, Junichiro Convergent Azaspirocyclization of Bromoarenes with N-Tosylhydrazones by a Palladium Catalyst ACS Catalysis, 2021, 11, 10429-10435 |
| 4518980 | CIF | C32 H46 F Mn N2 O2 P2 | P 1 21/c 1 | 12.6518; 15.3285; 16.7761 90; 104.703; 90 | 3146.91 | Zhou, Quan-Quan; Zou, You-Quan; Kar, Sayan; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David Manganese-Pincer-Catalyzed Nitrile Hydration, α-Deuteration, and α-Deuterated Amide Formation via Metal Ligand Cooperation ACS Catalysis, 2021, 11, 10239-10245 |
| 4518981 | CIF | C32 H47 Mn N2 O2 P2 | P 1 21/n 1 | 12.92524; 16.7518; 16.3352 90; 101.96; 90 | 3460.14 | Zhou, Quan-Quan; Zou, You-Quan; Kar, Sayan; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David Manganese-Pincer-Catalyzed Nitrile Hydration, α-Deuteration, and α-Deuterated Amide Formation via Metal Ligand Cooperation ACS Catalysis, 2021, 11, 10239-10245 |
| 4518982 | CIF | C36 H53 Cl2 F3 Mn N2 O5 P2 S | P 21 21 21 | 12.1759; 13.3287; 25.6006 90; 90; 90 | 4154.69 | Zhou, Quan-Quan; Zou, You-Quan; Kar, Sayan; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David Manganese-Pincer-Catalyzed Nitrile Hydration, α-Deuteration, and α-Deuterated Amide Formation via Metal Ligand Cooperation ACS Catalysis, 2021, 11, 10239-10245 |
| 4518983 | CIF | C48 H40 N4 Ni | P 1 21/c 1 | 18.259; 17.663; 11.5624 90; 104.816; 90 | 3605 | Tortajada, Andreu; Menezes Correia, Jose Tiago; Serrano, Eloisa; Monleón, Alicia; Tampieri, Alberto; Day, Craig S.; Juliá-Hernández, Francisco; Martin, Ruben Ligand-Controlled Regiodivergent Catalytic Amidation of Unactivated Secondary Alkyl Bromides ACS Catalysis, 2021, 11, 10223-10227 |
| 4518984 | CIF | C32 H40 N4 Ni | P 1 21/n 1 | 17.2651; 8.0978; 20.5663 90; 102.933; 90 | 2802.4 | Tortajada, Andreu; Menezes Correia, Jose Tiago; Serrano, Eloisa; Monleón, Alicia; Tampieri, Alberto; Day, Craig S.; Juliá-Hernández, Francisco; Martin, Ruben Ligand-Controlled Regiodivergent Catalytic Amidation of Unactivated Secondary Alkyl Bromides ACS Catalysis, 2021, 11, 10223-10227 |
| 4518985 | CIF | C19 H42 Fe N2 O2 P2 | P 1 21/n 1 | 8.1133; 10.8783; 30.3409 90; 91.993; 90 | 2676.23 | Townsend, Tanya M.; Bernskoetter, Wesley H.; Hazari, Nilay; Mercado, Brandon Q. Dehydrogenative Synthesis of Carbamates from Formamides and Alcohols Using a Pincer-Supported Iron Catalyst ACS Catalysis, 2021, 11, 10614-10624 |
| 4518986 | CIF | C25 H44 Fe N2 O2 P2 | P -1 | 8.1307; 13.0711; 13.4922 74.165; 79.061; 83.962 | 1352.27 | Townsend, Tanya M.; Bernskoetter, Wesley H.; Hazari, Nilay; Mercado, Brandon Q. Dehydrogenative Synthesis of Carbamates from Formamides and Alcohols Using a Pincer-Supported Iron Catalyst ACS Catalysis, 2021, 11, 10614-10624 |
| 4518987 | CIF | C24 H48 Fe N2 O2 P2 | P -1 | 11.3294; 14.7816; 18.2519 110.842; 92.5202; 100.479 | 2789.23 | Townsend, Tanya M.; Bernskoetter, Wesley H.; Hazari, Nilay; Mercado, Brandon Q. Dehydrogenative Synthesis of Carbamates from Formamides and Alcohols Using a Pincer-Supported Iron Catalyst ACS Catalysis, 2021, 11, 10614-10624 |
| 4518988 | CIF | C24 H45 Fe N O P2 S | C m c e | 19.181; 12.4038; 22.3606 90; 90; 90 | 5320 | Townsend, Tanya M.; Bernskoetter, Wesley H.; Hazari, Nilay; Mercado, Brandon Q. Dehydrogenative Synthesis of Carbamates from Formamides and Alcohols Using a Pincer-Supported Iron Catalyst ACS Catalysis, 2021, 11, 10614-10624 |
| 4518989 | CIF | C14 H11 Mo N3 O4 | P -1 | 8.4036; 8.9796; 11.167 79.028; 81.338; 63.09 | 735.69 | Li, Weikang; Huang, Ming; Liu, Jiahao; Huang, Yong-Liang; Lan, Xiao-Bing; Ye, Zongren; Zhao, Cunyuan; Liu, Yan; Ke, Zhuofeng Enhanced Hydride Donation Achieved Molybdenum Catalyzed Direct N-Alkylation of Anilines or Nitroarenes with Alcohols: From Computational Design to Experiment ACS Catalysis, 2021, 11, 10377-10382 |
| 4518990 | CIF | C13 H12 Mo N4 O4 | P b c a | 13.3874; 8.8532; 25.1701 90; 90; 90 | 2983.19 | Li, Weikang; Huang, Ming; Liu, Jiahao; Huang, Yong-Liang; Lan, Xiao-Bing; Ye, Zongren; Zhao, Cunyuan; Liu, Yan; Ke, Zhuofeng Enhanced Hydride Donation Achieved Molybdenum Catalyzed Direct N-Alkylation of Anilines or Nitroarenes with Alcohols: From Computational Design to Experiment ACS Catalysis, 2021, 11, 10377-10382 |
| 4518991 | CIF | C17 H20 Mo N4 O4 | P 1 21/n 1 | 7.898; 14.1645; 17.4273 90; 98.613; 90 | 1927.6 | Li, Weikang; Huang, Ming; Liu, Jiahao; Huang, Yong-Liang; Lan, Xiao-Bing; Ye, Zongren; Zhao, Cunyuan; Liu, Yan; Ke, Zhuofeng Enhanced Hydride Donation Achieved Molybdenum Catalyzed Direct N-Alkylation of Anilines or Nitroarenes with Alcohols: From Computational Design to Experiment ACS Catalysis, 2021, 11, 10377-10382 |
| 4518992 | CIF | C20 H20 Br2 N2 Ni | P -1 | 9.0787; 9.6059; 11.9391 85.356; 80.16; 68.34 | 953.26 | Kolluru, Srinivas; Singh, Manvendra; Gaskins, Bryce; Boskovic, Zarko Nickel-Catalyzed Annulations of ortho-Haloarylimines ACS Catalysis, 2021, 11, 10351-10361 |
| 4518993 | CIF | C30 H22 Cl N O0.61 P Pd | P 1 21/c 1 | 16.5425; 9.582; 17.3269 90; 109.906; 90 | 2582.39 | Kolluru, Srinivas; Singh, Manvendra; Gaskins, Bryce; Boskovic, Zarko Nickel-Catalyzed Annulations of ortho-Haloarylimines ACS Catalysis, 2021, 11, 10351-10361 |
| 4518994 | CIF | C20 H20 Cl2 N2 Ni | P -1 | 8.9273; 9.4515; 11.9381 86.117; 80.324; 67.532 | 917.58 | Kolluru, Srinivas; Singh, Manvendra; Gaskins, Bryce; Boskovic, Zarko Nickel-Catalyzed Annulations of ortho-Haloarylimines ACS Catalysis, 2021, 11, 10351-10361 |
| 4518995 | CIF | C23 H24 Br N2 Ni | P -1 | 8.0773; 9.9718; 13.0748 105.435; 91.184; 91.402 | 1014.42 | Kolluru, Srinivas; Singh, Manvendra; Gaskins, Bryce; Boskovic, Zarko Nickel-Catalyzed Annulations of ortho-Haloarylimines ACS Catalysis, 2021, 11, 10351-10361 |
| 4518996 | CIF | C20 H20 Br2 N2 Ni | P 1 21/n 1 | 8.0595; 30.6742; 8.6369 90; 112.236; 90 | 1976.41 | Kolluru, Srinivas; Singh, Manvendra; Gaskins, Bryce; Boskovic, Zarko Nickel-Catalyzed Annulations of ortho-Haloarylimines ACS Catalysis, 2021, 11, 10351-10361 |
| 4518997 | CIF | C44 H60 I4 N2 Ni O2 | C 1 2/c 1 | 27.33; 9.978; 17.222 90; 90.618; 90 | 4696 | Lohrey, Trevor D.; Cusumano, Alexander Q.; Goddard, William A.; Stoltz, Brian M. Identifying the Imperative Role of Metal‒Olefin Interactions in Catalytic C‒O Reductive Elimination from Nickel(II) ACS Catalysis, 2021, 11, 10208-10222 |
| 4518998 | CIF | C50 H80 I2 N2 Ni2 O6.5 | P -1 | 12.7775; 14.7475; 15.2774 73.188; 86.253; 70.648 | 2598.6 | Lohrey, Trevor D.; Cusumano, Alexander Q.; Goddard, William A.; Stoltz, Brian M. Identifying the Imperative Role of Metal‒Olefin Interactions in Catalytic C‒O Reductive Elimination from Nickel(II) ACS Catalysis, 2021, 11, 10208-10222 |
| 4518999 | CIF | C64 H82 I2 N6 Ni2 O2 | P c c n | 14.7031; 17.8228; 23.8035 90; 90; 90 | 6237.7 | Lohrey, Trevor D.; Cusumano, Alexander Q.; Goddard, William A.; Stoltz, Brian M. Identifying the Imperative Role of Metal‒Olefin Interactions in Catalytic C‒O Reductive Elimination from Nickel(II) ACS Catalysis, 2021, 11, 10208-10222 |
| 4519000 | CIF | C34 H55 I N Ni O P | P -1 | 11.0239; 11.4716; 13.6693 81.983; 78.073; 75.856 | 1632.8 | Lohrey, Trevor D.; Cusumano, Alexander Q.; Goddard, William A.; Stoltz, Brian M. Identifying the Imperative Role of Metal‒Olefin Interactions in Catalytic C‒O Reductive Elimination from Nickel(II) ACS Catalysis, 2021, 11, 10208-10222 |
| 4519001 | CIF | C36 H66 I Ni P2 | R -3 c :H | 29.259; 29.259; 23.165 90; 90; 120 | 17174 | Lohrey, Trevor D.; Cusumano, Alexander Q.; Goddard, William A.; Stoltz, Brian M. Identifying the Imperative Role of Metal‒Olefin Interactions in Catalytic C‒O Reductive Elimination from Nickel(II) ACS Catalysis, 2021, 11, 10208-10222 |
| 4519002 | CIF | C16 H24 I2 Ni2 | P 1 21/n 1 | 7.4617; 10.686; 10.939 90; 97.511; 90 | 864.7 | Lohrey, Trevor D.; Cusumano, Alexander Q.; Goddard, William A.; Stoltz, Brian M. Identifying the Imperative Role of Metal‒Olefin Interactions in Catalytic C‒O Reductive Elimination from Nickel(II) ACS Catalysis, 2021, 11, 10208-10222 |
| 4519050 | CIF | C27 H34 Al Cl4 N2 Na O8 | P -1 | 10.796; 11.9409; 14.6196 66.034; 84.098; 69.361 | 1609.86 | Diment, Wilfred T.; Gregory, Georgina L.; Kerr, Ryan W. F.; Phanopoulos, Andreas; Buchard, Antoine; Williams, Charlotte K. Catalytic Synergy Using Al(III) and Group 1 Metals to Accelerate Epoxide and Anhydride Ring-Opening Copolymerizations ACS Catalysis, 2021, 12532-12542 |
| 4519051 | CIF | C51 H61 Al2 Cl3 K2 N4 O16 | P -1 | 12.4551; 15.8089; 16.1748 65.273; 82.478; 76.607 | 2812.1 | Diment, Wilfred T.; Gregory, Georgina L.; Kerr, Ryan W. F.; Phanopoulos, Andreas; Buchard, Antoine; Williams, Charlotte K. Catalytic Synergy Using Al(III) and Group 1 Metals to Accelerate Epoxide and Anhydride Ring-Opening Copolymerizations ACS Catalysis, 2021, 12532-12542 |
| 4519052 | CIF | C51 H61 Al2 Cl3 N4 O16 Rb2 | P -1 | 12.546; 15.7343; 16.4513 64.372; 82.396; 76.638 | 2846.84 | Diment, Wilfred T.; Gregory, Georgina L.; Kerr, Ryan W. F.; Phanopoulos, Andreas; Buchard, Antoine; Williams, Charlotte K. Catalytic Synergy Using Al(III) and Group 1 Metals to Accelerate Epoxide and Anhydride Ring-Opening Copolymerizations ACS Catalysis, 2021, 12532-12542 |
| 4519053 | CIF | C26 H31 Al Cl3 Cs N2 O8 | P 1 21/c 1 | 14.9518; 12.8871; 16.7675 90; 98.577; 90 | 3194.72 | Diment, Wilfred T.; Gregory, Georgina L.; Kerr, Ryan W. F.; Phanopoulos, Andreas; Buchard, Antoine; Williams, Charlotte K. Catalytic Synergy Using Al(III) and Group 1 Metals to Accelerate Epoxide and Anhydride Ring-Opening Copolymerizations ACS Catalysis, 2021, 12532-12542 |
| 4519054 | CIF | C74 H76 Al2 K2 N4 O17 | P 1 21/n 1 | 15.0779; 30.1479; 17.5249 90; 114.699; 90 | 7237.5 | Diment, Wilfred T.; Gregory, Georgina L.; Kerr, Ryan W. F.; Phanopoulos, Andreas; Buchard, Antoine; Williams, Charlotte K. Catalytic Synergy Using Al(III) and Group 1 Metals to Accelerate Epoxide and Anhydride Ring-Opening Copolymerizations ACS Catalysis, 2021, 12532-12542 |
| 4519055 | CIF | C28 H28 B2 F8 Se2 | P -1 | 9.699; 12.175; 14.816 90.131; 108.339; 103.651 | 1608.2 | He, Xinxin; Wang, Xinyan; Tse, Ying-Lung Steve; Ke, Zhihai; Yeung, Ying-Yeung Bis-selenonium Cations as Bidentate Chalcogen Bond Donors in Catalysis ACS Catalysis, 2021, 12632-12642 |
| 4519056 | CIF | C64 H64 Cl3 N3 O9 | P 1 | 8.852; 12.885; 13.9065 77.061; 87.047; 72.519 | 1474.3 | Yang, Wu-Lin; Wang, Yuan-Lin; Li, Wen; Gu, Bu-Ming; Wang, Si-Wen; Luo, Xiaoyan; Tian, Bo-Xue; Deng, Wei-Ping Diastereo- and Enantioselective Synthesis of Eight-Membered Heterocycles via an Allylation/Ring Expansion Sequence Enabled by Multiple Catalysis ACS Catalysis, 2021, 12557-12564 |
| 4519057 | CIF | C25 H26 Br2 N2 O4 | P 1 21 1 | 23; 8.9861; 25.676 90; 96.451; 90 | 5273.1 | Yang, Wu-Lin; Wang, Yuan-Lin; Li, Wen; Gu, Bu-Ming; Wang, Si-Wen; Luo, Xiaoyan; Tian, Bo-Xue; Deng, Wei-Ping Diastereo- and Enantioselective Synthesis of Eight-Membered Heterocycles via an Allylation/Ring Expansion Sequence Enabled by Multiple Catalysis ACS Catalysis, 2021, 12557-12564 |
| 4519058 | CIF | C26 H29 N O5 | P 21 21 21 | 7.2101; 12.4785; 26.7627 90; 90; 90 | 2407.87 | Yang, Wu-Lin; Wang, Yuan-Lin; Li, Wen; Gu, Bu-Ming; Wang, Si-Wen; Luo, Xiaoyan; Tian, Bo-Xue; Deng, Wei-Ping Diastereo- and Enantioselective Synthesis of Eight-Membered Heterocycles via an Allylation/Ring Expansion Sequence Enabled by Multiple Catalysis ACS Catalysis, 2021, 12557-12564 |
| 4519059 | CIF | C35 H56 Cl2 P2 Pd | P 1 21/c 1 | 11.7183; 14.6907; 21.1331 90; 100.812; 90 | 3573.5 | Zhu, Bin-Bin; Ye, Wen-Bo; He, Zhi-Tao; Zhang, Shu-Sheng; Feng, Chen-Guo; Lin, Guo-Qiang Regioselective Tandem C–H Alkylation/Coupling Reaction of ortho-Iodophenylethylenes via C,C-Pallada(II)cycles ACS Catalysis, 2021, 11, 12123-12132 |
| 4519060 | CIF | C20 H18 Br N O3 | P 21 21 21 | 8.1288; 13.7875; 16.7891 90; 90; 90 | 1881.65 | Xia, Jin-Tao; Li, Ling; Hu, Xiang-Ping Copper-Catalyzed Decarboxylative Propargylic Alkylation of Enol Carbonates: Stereoselective Synthesis of Quaternary α-Amino Acids ACS Catalysis, 2021, 11, 11843-11848 |
| 4519061 | CIF | C21 H26 Cl2 N3 Rh | P -1 | 7.1752; 8.6053; 18.3209 83.552; 89.982; 67.377 | 1036.44 | Khake, Shrikant M.; Chatani, Naoto Rh(III)-Catalyzed [3 + 2] Annulation of Aniline Derivatives with Vinylsilanes via C–H Activation/Alkene Cyclization: Access to Highly Regioselective Indoline Derivatives ACS Catalysis, 2021, 11, 12375-12383 |
| 4519062 | CIF | C31 H27 N3 Si | P -1 | 9.4517; 10.586; 13.7057 109.919; 90.438; 106.701 | 1226.4 | Khake, Shrikant M.; Chatani, Naoto Rh(III)-Catalyzed [3 + 2] Annulation of Aniline Derivatives with Vinylsilanes via C–H Activation/Alkene Cyclization: Access to Highly Regioselective Indoline Derivatives ACS Catalysis, 2021, 11, 12375-12383 |
| 4519063 | CIF | C28 H26 N2 O2 | P 1 21 1 | 8.18927; 12.80314; 10.83576 90; 97.8768; 90 | 1125.39 | Herraiz, Ana G.; Cramer, Nicolai Cobalt(III)-Catalyzed Diastereo- and Enantioselective Three-Component C–H Functionalization ACS Catalysis, 2021, 11, 11938-11944 |
| 4519064 | CIF | C73 H71 Cl3 Co2 I4 O4 | P 21 21 21 | 10.41118; 17.39267; 36.5868 90; 90; 90 | 6625.07 | Herraiz, Ana G.; Cramer, Nicolai Cobalt(III)-Catalyzed Diastereo- and Enantioselective Three-Component C–H Functionalization ACS Catalysis, 2021, 11, 11938-11944 |
| 4519065 | CIF | C44 H34 N4 O2 | P 1 21/c 1 | 15.6752; 13.0378; 17.6651 90; 110.456; 90 | 3382.6 | Ankade, Shidheshwar B.; Samal, Pragnya Paramita; Soni, Vineeta; Gonnade, Rajesh G.; Krishnamurty, Sailaja; Punji, Benudhar Ni(II)-Catalyzed Intramolecular C–H/C–H Oxidative Coupling: An Efficient Route to Functionalized Cycloindolones and Indenoindolones ACS Catalysis, 2021, 11, 12384-12393 |
| 4519066 | CIF | C21 H20 N2 O | P 1 21/c 1 | 10.5707; 14.0848; 22.353 90; 94.915; 90 | 3315.8 | Ankade, Shidheshwar B.; Samal, Pragnya Paramita; Soni, Vineeta; Gonnade, Rajesh G.; Krishnamurty, Sailaja; Punji, Benudhar Ni(II)-Catalyzed Intramolecular C–H/C–H Oxidative Coupling: An Efficient Route to Functionalized Cycloindolones and Indenoindolones ACS Catalysis, 2021, 11, 12384-12393 |
| 4519067 | CIF | C18 H16 N2 O | P -1 | 10.1004; 10.721; 13.77 89.487; 78.138; 80.183 | 1437.4 | Ankade, Shidheshwar B.; Samal, Pragnya Paramita; Soni, Vineeta; Gonnade, Rajesh G.; Krishnamurty, Sailaja; Punji, Benudhar Ni(II)-Catalyzed Intramolecular C–H/C–H Oxidative Coupling: An Efficient Route to Functionalized Cycloindolones and Indenoindolones ACS Catalysis, 2021, 11, 12384-12393 |
| 4519068 | CIF | C14 H18 N2 Ni O6 | C 1 2/c 1 | 15.2287; 12.7164; 8.0895 90; 92.882; 90 | 1564.58 | Ankade, Shidheshwar B.; Samal, Pragnya Paramita; Soni, Vineeta; Gonnade, Rajesh G.; Krishnamurty, Sailaja; Punji, Benudhar Ni(II)-Catalyzed Intramolecular C–H/C–H Oxidative Coupling: An Efficient Route to Functionalized Cycloindolones and Indenoindolones ACS Catalysis, 2021, 11, 12384-12393 |
| 4519069 | CIF | C36 H30 N4 O2 | P 1 21/c 1 | 16.7476; 9.0897; 18.6802 90; 96.74; 90 | 2824 | Ankade, Shidheshwar B.; Samal, Pragnya Paramita; Soni, Vineeta; Gonnade, Rajesh G.; Krishnamurty, Sailaja; Punji, Benudhar Ni(II)-Catalyzed Intramolecular C–H/C–H Oxidative Coupling: An Efficient Route to Functionalized Cycloindolones and Indenoindolones ACS Catalysis, 2021, 11, 12384-12393 |
| 4519070 | CIF | C31 H31 N O6.5 S | P 21 21 21 | 10.5571; 12.9667; 21.3679 90; 90; 90 | 2925.07 | Laina-Martín, Víctor; Humbrías-Martín, Jorge; Mas-Ballesté, Rubén; Fernández-Salas, Jose A.; Alemán, José Enantioselective Inverse-Electron Demand Aza-Diels–Alder Reaction: ipso,α-Selectivity of Silyl Dienol Ethers ACS Catalysis, 2021, 11, 12133-12145 |
| 4519091 | CIF | C32 H26 B Br Cl3 F4 N O | P 1 21 1 | 10.76; 10.7865; 13.7635 90; 104.181; 90 | 1548.75 | Yoshida, Yasushi; Mino, Takashi; Sakamoto, Masami Chiral Hypervalent Bromine(III) (Bromonium Salt): Hydrogen- and Halogen-Bonding Bifunctional Asymmetric Catalysis by Diaryl-λ3-bromanes ACS Catalysis, 2021, 13028-13033 |
| 4519092 | CIF | C20 H13 Cl4 N O6 | C 1 2/c 1 | 27.73; 7.9612; 19.899 90; 115.585; 90 | 3962.2 | Leng, Lingying; Ready, Joseph M. Hydroesterification and Difunctionalization of Olefins with N-Hydroxyphthalimide Esters ACS Catalysis, 2021, 13714-13720 |
| 4519093 | CIF | C17 H16 Cl N | P 1 21 1 | 8.611; 9.7776; 8.9599 90; 105.121; 90 | 728.26 | Pan, Yu-Liang; Shao, Ying-Bo; Wang, Jie; Liu, Zhen; Chen, Li; Li, Xin Kinetic Resolution of 2H-Azirines by Asymmetric Allylation Reactions ACS Catalysis, 2021, 13752-13760 |
| 4519094 | CIF | C14 H12 N O2 P | P 21 21 21 | 7.4626; 8.0078; 21.165 90; 90; 90 | 1264.8 | Song, Shu-Yong; Li, Yinwu; Ke, Zhuofeng; Xu, Senmiao Iridium-Catalyzed Enantioselective C–H Borylation of Diarylphosphinates ACS Catalysis, 2021, 13445-13451 |
| 4519095 | CIF | C28 H26 O4 | P 1 21 1 | 11.6722; 8.213; 12.1784 90; 100.115; 90 | 1149.32 | Liu, Li-Xia; Huang, Wen-Jun; Xie, Qing-Xian; Wu, Bo; Yu, Chang-Bin; Zhou, Yong-Gui Dynamic Kinetic Resolution of Flavonoids via Asymmetric Allylic Alkylation: Construction of Two Contiguous Stereogenic Centers on Nucleophiles ACS Catalysis, 2021, 12859-12863 |
| 4519096 | CIF | C24 H20 O2 Si2 | P -1 | 10.6678; 10.723; 18.8751 83.324; 83.81; 76.075 | 2074.32 | Chen, Ke; Zhu, Hongdan; Li, Yuling; Peng, Qian; Guo, Yinlong; Wang, Xiaoming Dinuclear Cobalt Complex-Catalyzed Stereodivergent Semireduction of Alkynes: Switchable Selectivities Controlled by H2O ACS Catalysis, 2021, 13696-13705 |
| 4519097 | CIF | C21 H30 Cl Co F3 N5 O4 S | P 1 21/c 1 | 16.228; 16.9453; 9.6916 90; 92.313; 90 | 2662.9 | Chen, Ke; Zhu, Hongdan; Li, Yuling; Peng, Qian; Guo, Yinlong; Wang, Xiaoming Dinuclear Cobalt Complex-Catalyzed Stereodivergent Semireduction of Alkynes: Switchable Selectivities Controlled by H2O ACS Catalysis, 2021, 13696-13705 |
| 4519098 | CIF | C32 H35 N O4 | P -1 | 10.956; 11.975; 22.501 86.546; 79.404; 67.694 | 2684 | Simlandy, Amit Kumar; Lyu, Mao-Yun; Brown, M. Kevin Catalytic Arylboration of Spirocyclic Cyclobutenes: Rapid Access to Highly Substituted Spiro[3.n]alkanes ACS Catalysis, 2021, 11, 12815-12820 |
| 4519099 | CIF | C24 H36 B N O4 | P -1 | 9.9066; 11.0766; 11.6203 112.849; 92.575; 92.484 | 1171.31 | Simlandy, Amit Kumar; Lyu, Mao-Yun; Brown, M. Kevin Catalytic Arylboration of Spirocyclic Cyclobutenes: Rapid Access to Highly Substituted Spiro[3.n]alkanes ACS Catalysis, 2021, 11, 12815-12820 |
| 4519100 | CIF | C31 H34 Ge | C 1 2/c 1 | 23.3649; 11.1865; 19.019 90; 95.1336; 90 | 4951.1 | Sahoo, Manoj Kumar; Kim, Dongwook; Chang, Sukbok; Park, Jung-Woo Regioselective Access to α-Vinylsilanes and α-Vinylgermanes by Cobalt-Catalyzed Migratory Hydrofunctionalization of 2-Alkynes ACS Catalysis, 2021, 11, 12777-12784 |
| 4519101 | CIF | C30 H55 Co P2 | P -1 | 9.1738; 10.045; 17.518 90.845; 96.983; 114.712 | 1451.7 | Sahoo, Manoj Kumar; Kim, Dongwook; Chang, Sukbok; Park, Jung-Woo Regioselective Access to α-Vinylsilanes and α-Vinylgermanes by Cobalt-Catalyzed Migratory Hydrofunctionalization of 2-Alkynes ACS Catalysis, 2021, 11, 12777-12784 |
| 4519139 | CIF | C26 H25 F N2 O5 | P 1 21 1 | 8.7046; 11.9983; 11.516 90; 100.577; 90 | 1182.3 | Lv, Mingjun; Li, Xiaoxun Ni(II)-Catalyzed Asymmetric Nitration of Oxindoles: Construction of Cipargamin Analogues ACS Catalysis, 2021, 14829-14835 |
| 4519140 | CIF | C22 H23 Cl2 N3 O2 | P 1 21 1 | 9.7747; 7.5306; 14.5872 90; 104.962; 90 | 1037.35 | Lv, Mingjun; Li, Xiaoxun Ni(II)-Catalyzed Asymmetric Nitration of Oxindoles: Construction of Cipargamin Analogues ACS Catalysis, 2021, 14829-14835 |
| 4519141 | CIF | C57 H27 Ho4 N2 O26 | P 63/m c m | 22.209; 22.209; 38.44 90; 90; 120 | 16420 | Zhang, Tao; Chen, Hongtai; Liu, Shurong; Lv, Hongxiao; Zhang, Xiutang; Li, Qiaoling Highly Robust {Ln4}-Organic Frameworks (Ln = Ho, Yb) for Excellent Catalytic Performance on Cycloaddition Reaction of Epoxides with CO2 and Knoevenagel Condensation ACS Catalysis, 2021, 14916-14925 |
| 4519142 | CIF | C57 H27 N2 O26 Yb4 | P 63/m c m | 22.06; 22.06; 38.082 90; 90; 120 | 16049 | Zhang, Tao; Chen, Hongtai; Liu, Shurong; Lv, Hongxiao; Zhang, Xiutang; Li, Qiaoling Highly Robust {Ln4}-Organic Frameworks (Ln = Ho, Yb) for Excellent Catalytic Performance on Cycloaddition Reaction of Epoxides with CO2 and Knoevenagel Condensation ACS Catalysis, 2021, 14916-14925 |
| 4519143 | CIF | C18 H17 F2 N O | P c a 21 | 10.2505; 14.9948; 10.2309 90; 90; 90 | 1572.53 | Ma, Shucheng; Li, Fangjie; Zhang, Guisheng; Shi, Lei; Wang, Xiaoming Highly Regioselective Difluoroalkylarylation of Butadiene through a Nickel-Catalyzed Tandem Radical Process ACS Catalysis, 2021, 14848-14853 |
| 4519144 | CIF | C40 H6 F20 | P -1 | 4.3952; 18.1094; 19.3056 82.053; 83.462; 83.034 | 1503.24 | Takahashi, Rikuro; Seo, Tamae; Kubota, Koji; Ito, Hajime Palladium-Catalyzed Solid-State Polyfluoroarylation of Aryl Halides Using Mechanochemistry ACS Catalysis, 2021, 14803-14810 |
| 4519145 | CIF | C27 H30 B10 N O P Pd | P 1 21/n 1 | 9.0642; 13.1695; 24.86 90; 94.902; 90 | 2956.7 | Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes ACS Catalysis, 2021, 11, 14047-14057 |
| 4519146 | CIF | C11 H18 B10 O3 | P 1 21/c 1 | 22.9926; 6.5798; 24.1534 90; 115.752; 90 | 3291.2 | Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes ACS Catalysis, 2021, 11, 14047-14057 |
| 4519147 | CIF | C19 H24 B10 O5 | P b c m | 6.8374; 18.2868; 18.8324 90; 90; 90 | 2354.7 | Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes ACS Catalysis, 2021, 11, 14047-14057 |
| 4519148 | CIF | C21 H21 B10 F3 O | P 1 21/c 1 | 14.2655; 19.45; 8.314 90; 102.863; 90 | 2248.9 | Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes ACS Catalysis, 2021, 11, 14047-14057 |
| 4519149 | CIF | C35 H36 B10 O9 | P 1 21/c 1 | 22.445; 8.524; 20.897 90; 116.232; 90 | 3586 | Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes ACS Catalysis, 2021, 11, 14047-14057 |
| 4519150 | CIF | C46 H47 B10 Cl2 N O12 | P -1 | 12.9702; 13.498; 16.6031 70.165; 71.761; 64.698 | 2423.3 | Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes ACS Catalysis, 2021, 11, 14047-14057 |
| 4519151 | CIF | C43 H42 B10 N O5 P Pd | P 1 21/c 1 | 15.475; 25.5038; 16.9662 90; 102.143; 90 | 6546.3 | Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes ACS Catalysis, 2021, 11, 14047-14057 |
| 4519152 | CIF | C43 H60 B10 O | C 1 2/c 1 | 30.248; 12.321; 25.333 90; 116.221; 90 | 8470 | Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes ACS Catalysis, 2021, 11, 14047-14057 |
| 4519153 | CIF | C31 H36 B10 O | C 1 2/c 1 | 24.4616; 13.4493; 18.7508 90; 100.232; 90 | 6070.7 | Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes ACS Catalysis, 2021, 11, 14047-14057 |
| 4519154 | CIF | C66 H58 B20 F8 N2 O2 | P -1 | 10.804; 11.906; 25.209 90.09; 87.216; 88.784 | 3238 | Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes ACS Catalysis, 2021, 11, 14047-14057 |
| 4519155 | CIF | C37 H39 B10 N O3 S | P 1 21/c 1 | 23.4028; 10.4909; 17.9732 90; 111.455; 90 | 4106.9 | Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes ACS Catalysis, 2021, 11, 14047-14057 |
| 4519156 | CIF | C90 H110 B20 N2 O4 | P 2 2 2 | 20.541; 21.748; 21.85 90; 90; 90 | 9761 | Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes ACS Catalysis, 2021, 11, 14047-14057 |
| 4519157 | CIF | C54 H73 B10 N | P 1 21/n 1 | 12.427; 37.88; 13.129 90; 103.168; 90 | 6018 | Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes ACS Catalysis, 2021, 11, 14047-14057 |
| 4519158 | CIF | C59 H86 B10 O | P -1 | 11.646; 11.847; 22.42 91.159; 103.259; 105.903 | 2884.2 | Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes ACS Catalysis, 2021, 11, 14047-14057 |
| 4519159 | CIF | C60 H83 B9 Cl3 N2 O2 | P -1 | 14.9214; 15.0111; 17.2386 108.538; 106.645; 102.932 | 3290 | Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes ACS Catalysis, 2021, 11, 14047-14057 |
| 4519160 | CIF | C93 H67 B10 N5 O6 | P -1 | 10.816; 16.257; 21.721 100.657; 92.975; 92.071 | 3744.3 | Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes ACS Catalysis, 2021, 11, 14047-14057 |
| 4519161 | CIF | C28 H42 I N2 O3 P | P 1 21 1 | 10.2419; 15.1653; 10.3309 90; 103.069; 90 | 1563.05 | Chen, Yuan; Yu, Zhaoyuan; Jiang, Zhiyu; Tan, Jian-Ping; Wu, Jia-Hong; Lan, Yu; Ren, Xiaoyu; Wang, Tianli Asymmetric Construction of Tertiary/Secondary Carbon–Phosphorus Bonds via Bifunctional Phosphonium Salt Catalyzed 1,6-Addition ACS Catalysis, 2021, 11, 14168-14180 |
| 4519162 | CIF | C25 H21 O3 P | P 21 21 21 | 10.772; 13.7803; 13.8713 90; 90; 90 | 2059.08 | Chen, Yuan; Yu, Zhaoyuan; Jiang, Zhiyu; Tan, Jian-Ping; Wu, Jia-Hong; Lan, Yu; Ren, Xiaoyu; Wang, Tianli Asymmetric Construction of Tertiary/Secondary Carbon–Phosphorus Bonds via Bifunctional Phosphonium Salt Catalyzed 1,6-Addition ACS Catalysis, 2021, 11, 14168-14180 |
| 4519163 | CIF | C33 H37 Cl3 N O4 P S | P 21 21 21 | 11.8935; 13.9039; 21.127 90; 90; 90 | 3493.7 | Fang, Siqiang; Liu, Zanjiao; Zhang, Hongkui; Pan, Jianke; Chen, Yuan; Ren, Xiaoyu; Wang, Tianli Access to S-Stereogenic Free Sulfoximines via Bifunctional Phosphonium Salt-Catalyzed Desymmetrization of Bisphenols ACS Catalysis, 2021, 11, 13902-13912 |
| 4519164 | CIF | C19 H17 N O5 S2 | P 1 21 1 | 9.0907; 19.9189; 10.3884 90; 94.407; 90 | 1875.54 | Fang, Siqiang; Liu, Zanjiao; Zhang, Hongkui; Pan, Jianke; Chen, Yuan; Ren, Xiaoyu; Wang, Tianli Access to S-Stereogenic Free Sulfoximines via Bifunctional Phosphonium Salt-Catalyzed Desymmetrization of Bisphenols ACS Catalysis, 2021, 11, 13902-13912 |
| 4519165 | CIF | C19 H18 N2 | P 1 21 1 | 5.693; 7.6997; 17.596 90; 90.139; 90 | 771.3 | Long, Jinguo; Xia, Shaomiao; Wang, Ting; Cheng, Gui-Juan; Fang, Xianjie Nickel-Catalyzed Regiodivergent Cyanation of Allylic Alcohols: Scope, Mechanism, and Application to the Synthesis of 1,n-Dinitriles ACS Catalysis, 2021, 11, 13880-13890 |
| 4519166 | CIF | C31 H50 N2 | P 21 21 21 | 6.4329; 12.0639; 35.625 90; 90; 90 | 2764.71 | Long, Jinguo; Xia, Shaomiao; Wang, Ting; Cheng, Gui-Juan; Fang, Xianjie Nickel-Catalyzed Regiodivergent Cyanation of Allylic Alcohols: Scope, Mechanism, and Application to the Synthesis of 1,n-Dinitriles ACS Catalysis, 2021, 11, 13880-13890 |
| 4519167 | CIF | C48 H57 O P | P 1 21 1 | 10.2524; 10.0212; 19.2295 90; 90.56; 90 | 1975.57 | Zhang, Xi; Wang, Juan; Yang, Shang-Dong Enantioselective Cobalt-Catalyzed Reductive Cross-Coupling for the Synthesis of Axially Chiral Phosphine–Olefin Ligands ACS Catalysis, 2021, 11, 14008-14015 |
| 4519168 | CIF | C15 H15 F3 O | P 1 21 1 | 10.697; 5.5963; 12.344 90; 113.17; 90 | 679.4 | Zhang, Xinyu; Sivaguru, Paramasivam; Zanoni, Giuseppe; Han, Xinyue; Tong, Minghui; Bi, Xihe Catalytic Asymmetric C(sp3)–H Carbene Insertion Approach to Access Enantioenriched 3-Fluoroalkyl 2,3-Dihydrobenzofurans ACS Catalysis, 2021, 11, 14293-14301 |
| 4519169 | CIF | C33 H28 F7 N2 O2 P Pd | P -1 | 10.224; 15.6567; 20.8337 102.492; 90.645; 99.746 | 3205.02 | Xue, Yuan; Park, Han Seul; Jiang, Chao; Yu, Jin-Quan Palladium-Catalyzed β-C(sp3)–H Nitrooxylation of Ketones and Amides Using Practical Oxidants ACS Catalysis, 2021, 11, 14188-14193 |
| 4519170 | CIF | C21 H18 F7 N3 O5 | P -1 | 9.0926; 10.8538; 11.6733 79.296; 87.955; 81.181 | 1118.57 | Xue, Yuan; Park, Han Seul; Jiang, Chao; Yu, Jin-Quan Palladium-Catalyzed β-C(sp3)–H Nitrooxylation of Ketones and Amides Using Practical Oxidants ACS Catalysis, 2021, 11, 14188-14193 |
| 4519171 | CIF | C41 H49 Cl2 N3 O Ru | P -1 | 11.2474; 12.9764; 13.8903 112.797; 92.8492; 93.8959 | 1858.24 | Park, Seongwook; Byun, Seunghwan; Ryu, Huijeoung; Hahm, Hyungwoo; Lee, Junseong; Hong, Sukwon Reversibly Photoswitchable Catalysts for Olefin Metathesis Reactions ACS Catalysis, 2021, 11, 13860-13865 |
| 4519172 | CIF | C20 H16 N2 O4 | P 1 21/c 1 | 12.4452; 8.0989; 17.7051 90; 108.065; 90 | 1696.6 | Zhao, Fei; Zhou, Zhi; Lu, Yangbin; Qiao, Jin; Zhang, Xiaoning; Gong, Xin; Liu, Siyu; Lin, Shuang; Wu, Xiaowei; Yi, Wei Chemo-, Regio-, and Stereoselective Assembly of Polysubstituted Furan-2(5H)-ones Enabled by Rh(III)-Catalyzed Domino C–H Alkenylation/Directing Group Migration/Lactonization: A Combined Experimental and Computational Study ACS Catalysis, 2021, 11, 13921-13934 |
| 4519173 | CIF | C21 H21 N O2 | P -1 | 5.2145; 15.0019; 21.336 92.576; 90.425; 90.701 | 1667.2 | Zhao, Fei; Zhou, Zhi; Lu, Yangbin; Qiao, Jin; Zhang, Xiaoning; Gong, Xin; Liu, Siyu; Lin, Shuang; Wu, Xiaowei; Yi, Wei Chemo-, Regio-, and Stereoselective Assembly of Polysubstituted Furan-2(5H)-ones Enabled by Rh(III)-Catalyzed Domino C–H Alkenylation/Directing Group Migration/Lactonization: A Combined Experimental and Computational Study ACS Catalysis, 2021, 11, 13921-13934 |
| 4519174 | CIF | C19 H22 N2 O5 | P -1 | 9.1689; 9.169; 11.0996 88.373; 77.566; 71.735 | 864.57 | Zhao, Fei; Zhou, Zhi; Lu, Yangbin; Qiao, Jin; Zhang, Xiaoning; Gong, Xin; Liu, Siyu; Lin, Shuang; Wu, Xiaowei; Yi, Wei Chemo-, Regio-, and Stereoselective Assembly of Polysubstituted Furan-2(5H)-ones Enabled by Rh(III)-Catalyzed Domino C–H Alkenylation/Directing Group Migration/Lactonization: A Combined Experimental and Computational Study ACS Catalysis, 2021, 11, 13921-13934 |
| 4519175 | CIF | C19 H22 N2 O4 | P 1 21/n 1 | 5.474; 30.8299; 10.1841 90; 103.872; 90 | 1668.57 | Zhao, Fei; Zhou, Zhi; Lu, Yangbin; Qiao, Jin; Zhang, Xiaoning; Gong, Xin; Liu, Siyu; Lin, Shuang; Wu, Xiaowei; Yi, Wei Chemo-, Regio-, and Stereoselective Assembly of Polysubstituted Furan-2(5H)-ones Enabled by Rh(III)-Catalyzed Domino C–H Alkenylation/Directing Group Migration/Lactonization: A Combined Experimental and Computational Study ACS Catalysis, 2021, 11, 13921-13934 |
| 4519176 | CIF | C14 H16 N2 O | P 1 21/n 1 | 9.7613; 8.8089; 15.2633 90; 107.035; 90 | 1254.85 | Bories, Cassandre C.; Barbazanges, Marion; Derat, Etienne; Petit, Marc Implication of a Silyl Cobalt Dihydride Complex as a Useful Catalyst for the Hydrosilylation of Imines ACS Catalysis, 2021, 11, 14262-14273 |
| 4519177 | CIF | C27 H44 Co P3 Si | P 1 21 1 | 9.0544; 18.8627; 9.465 90; 115.243; 90 | 1462.16 | Bories, Cassandre C.; Barbazanges, Marion; Derat, Etienne; Petit, Marc Implication of a Silyl Cobalt Dihydride Complex as a Useful Catalyst for the Hydrosilylation of Imines ACS Catalysis, 2021, 11, 14262-14273 |
| 4519178 | CIF | C20 H21 F6 Ir N2 O4 | P 1 21/n 1 | 10.6577; 12.06; 17.0706 90; 97.183; 90 | 2176.9 | Zhou, Xiaoguang; Malakar, Santanu; Dugan, Thomas; Wang, Kun; Sattler, Aaron; Marler, David O.; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S. Alkane Dehydrogenation Catalyzed by a Fluorinated Phebox Iridium Complex ACS Catalysis, 2021, 11, 14194-14209 |
| 4519179 | CIF | C20 H23 N O3 | P 1 21/n 1 | 5.1608; 12.7726; 25.3964 90; 93.866; 90 | 1670.24 | Kirinde Arachchige, Pandula T.; Handunneththige, Suhashini; Talipov, Marat R.; Kalutharage, Nishantha; Yi, Chae S. Scope and Mechanism of the Redox-Active 1,2-Benzoquinone Enabled Ruthenium-Catalyzed Deaminative α-Alkylation of Ketones with Amines ACS Catalysis, 2021, 11, 13962-13972 |
| 4519180 | CIF | C22 H29 N O | P 1 21 1 | 7.5807; 11.25264; 21.8958 90; 97.6552; 90 | 1851.13 | Kirinde Arachchige, Pandula T.; Handunneththige, Suhashini; Talipov, Marat R.; Kalutharage, Nishantha; Yi, Chae S. Scope and Mechanism of the Redox-Active 1,2-Benzoquinone Enabled Ruthenium-Catalyzed Deaminative α-Alkylation of Ketones with Amines ACS Catalysis, 2021, 11, 13962-13972 |
| 4519181 | CIF | C51 H86 O3 P2 Ru | P 1 21/c 1 | 20.07721; 13.38539; 17.77134 90; 90.3343; 90 | 4775.81 | Kirinde Arachchige, Pandula T.; Handunneththige, Suhashini; Talipov, Marat R.; Kalutharage, Nishantha; Yi, Chae S. Scope and Mechanism of the Redox-Active 1,2-Benzoquinone Enabled Ruthenium-Catalyzed Deaminative α-Alkylation of Ketones with Amines ACS Catalysis, 2021, 11, 13962-13972 |
| 4519221 | CIF | C28 H20 | P -1 | 8.4176; 10.9015; 11.3672 110.376; 95.24; 92.506 | 970.56 | Zhou, Fulin; Shi, Weiming; Liao, Xingrong; Yang, Yudong; Yu, Zhi-Xiang; You, Jingsong Palladium-Catalyzed [3 + 2] Annulation of Alkynes with Concomitant Aromatic Ring Expansion: A Concise Approach to (Pseudo)azulenes ACS Catalysis, 2021, 676-686 |
| 4519222 | CIF | C22 H17 I N2 O8 | P 1 21/c 1 | 12.3457; 8.1316; 21.5494 90; 93.192; 90 | 2159.99 | Narobe, Rok; Murugesan, Kathiravan; Schmid, Simon; König, Burkhard Decarboxylative Ritter-Type Amination by Cooperative Iodine (I/III)─Boron Lewis Acid Catalysis ACS Catalysis, 2021, 809-817 |
| 4519223 | CIF | C16 H16 F N O | P 1 21/c 1 | 11.1669; 12.9806; 9.5928 90; 103.869; 90 | 1349.97 | Narobe, Rok; Murugesan, Kathiravan; Schmid, Simon; König, Burkhard Decarboxylative Ritter-Type Amination by Cooperative Iodine (I/III)─Boron Lewis Acid Catalysis ACS Catalysis, 2021, 809-817 |
| 4519224 | CIF | C9 H10 N2 O3 | P 1 21/c 1 | 11.6885; 9.5916; 8.4382 90; 100.162; 90 | 931.18 | Narobe, Rok; Murugesan, Kathiravan; Schmid, Simon; König, Burkhard Decarboxylative Ritter-Type Amination by Cooperative Iodine (I/III)─Boron Lewis Acid Catalysis ACS Catalysis, 2021, 809-817 |
| 4519225 | CIF | C24 H16 Sb2 | P 1 21/n 1 | 11.9115; 5.2479; 14.9482 90; 103.68; 90 | 907.91 | Zhang, Dejiang; Tang, Ting; Zhang, Zhao; Le, Liyuan; Xu, Zhi; Lu, Hao; Tong, Zhou; Zeng, Dishu; Wong, Wai-Yeung; Yin, Shuang-Feng; Ghaderi, Arash; Kambe, Nobuaki; Qiu, Renhua Nickel- and Palladium-Catalyzed Cross-Coupling of Stibines with Organic Halides: Site-Selective Sequential Reactions with Polyhalogenated Arenes ACS Catalysis, 2021, 854-867 |
| 4519226 | CIF | C24 H36 N Sc Si2 | P 1 21/c 1 | 12.3866; 19.4995; 11.067 90; 105.179; 90 | 2579.8 | Huang, Lixian; Liu, Zhaohe; Zhang, Yixin; Wu, Chunji; Cui, Dongmei Ethylene-Triggered Regioselectivity Switch of Dimethylbutadiene in Their Copolymerization: Formation of “Plastic” Rubber and Mechanism ACS Catalysis, 2021, 953-962 |
| 4519227 | CIF | C30 H45 N S Sc Si2 | P -1 | 10.3616; 12.9879; 13.5432 63.2; 87.783; 86.752 | 1624 | Huang, Lixian; Liu, Zhaohe; Zhang, Yixin; Wu, Chunji; Cui, Dongmei Ethylene-Triggered Regioselectivity Switch of Dimethylbutadiene in Their Copolymerization: Formation of “Plastic” Rubber and Mechanism ACS Catalysis, 2021, 953-962 |
| 4519228 | CIF | C26 H40 N Sc Si2 | P 1 21/n 1 | 11.9; 14.2646; 16.7857 90; 104.008; 90 | 2764.6 | Huang, Lixian; Liu, Zhaohe; Zhang, Yixin; Wu, Chunji; Cui, Dongmei Ethylene-Triggered Regioselectivity Switch of Dimethylbutadiene in Their Copolymerization: Formation of “Plastic” Rubber and Mechanism ACS Catalysis, 2021, 953-962 |
| 4519229 | CIF | C44 H37 O P | P 21 21 21 | 8.3799; 15.5214; 26.1574 90; 90; 90 | 3402.2 | Zhang, Chao-Wei; Hu, Xian-Qi; Dai, Yuan-Hao; Yin, Peng; Wang, Chuanyong; Duan, Wei-Liang Asymmetric C–H Activation for the Synthesis of P- and Axially Chiral Biaryl Phosphine Oxides by an Achiral Cp*Ir Catalyst with Chiral Carboxylic Amide ACS Catalysis, 2021, 193-199 |
| 4519230 | CIF | C50 H47 O2 P | P 32 | 12.5608; 12.5608; 22.1603 90; 90; 120 | 3027.9 | Zhang, Chao-Wei; Hu, Xian-Qi; Dai, Yuan-Hao; Yin, Peng; Wang, Chuanyong; Duan, Wei-Liang Asymmetric C–H Activation for the Synthesis of P- and Axially Chiral Biaryl Phosphine Oxides by an Achiral Cp*Ir Catalyst with Chiral Carboxylic Amide ACS Catalysis, 2021, 193-199 |
| 4519231 | CIF | C35 H28 O | P 61 | 21.1226; 21.1226; 10.9251 90; 90; 120 | 4221.34 | Tanpure, Sudhakar Dattatray; Kuo, Tung-Chun; Cheng, Mu-Jeng; Liu, Rai-Shung Gold(I)-Catalyzed Highly Diastereo- and Enantioselective Constructions of Bicyclo[3.2.1]oct-6-ene Frameworks via (4 + 3)-Cycloadditions ACS Catalysis, 2021, 536-543 |
| 4519232 | CIF | C35 H30 O | P 1 21/n 1 | 8.2675; 22.137; 13.9373 90; 94.199; 90 | 2543.9 | Tanpure, Sudhakar Dattatray; Kuo, Tung-Chun; Cheng, Mu-Jeng; Liu, Rai-Shung Gold(I)-Catalyzed Highly Diastereo- and Enantioselective Constructions of Bicyclo[3.2.1]oct-6-ene Frameworks via (4 + 3)-Cycloadditions ACS Catalysis, 2021, 536-543 |
| 4519233 | CIF | C31 H30 O | P 21 21 21 | 11.666; 13.404; 14.893 90; 90; 90 | 2328.8 | Tanpure, Sudhakar Dattatray; Kuo, Tung-Chun; Cheng, Mu-Jeng; Liu, Rai-Shung Gold(I)-Catalyzed Highly Diastereo- and Enantioselective Constructions of Bicyclo[3.2.1]oct-6-ene Frameworks via (4 + 3)-Cycloadditions ACS Catalysis, 2021, 536-543 |
| 4519234 | CIF | C31 H28 O | P 1 21/c 1 | 12.466; 10.8013; 17.4755 90; 103.026; 90 | 2292.5 | Tanpure, Sudhakar Dattatray; Kuo, Tung-Chun; Cheng, Mu-Jeng; Liu, Rai-Shung Gold(I)-Catalyzed Highly Diastereo- and Enantioselective Constructions of Bicyclo[3.2.1]oct-6-ene Frameworks via (4 + 3)-Cycloadditions ACS Catalysis, 2021, 536-543 |
| 4519235 | CIF | C32 H30 O | P 1 21 1 | 8.148; 10.0931; 14.7699 90; 103.183; 90 | 1182.65 | Tanpure, Sudhakar Dattatray; Kuo, Tung-Chun; Cheng, Mu-Jeng; Liu, Rai-Shung Gold(I)-Catalyzed Highly Diastereo- and Enantioselective Constructions of Bicyclo[3.2.1]oct-6-ene Frameworks via (4 + 3)-Cycloadditions ACS Catalysis, 2021, 536-543 |
| 4519236 | CIF | C62 H56 O2 | P 1 21 1 | 12.4891; 10.8641; 18.442 90; 108.646; 90 | 2370.92 | Tanpure, Sudhakar Dattatray; Kuo, Tung-Chun; Cheng, Mu-Jeng; Liu, Rai-Shung Gold(I)-Catalyzed Highly Diastereo- and Enantioselective Constructions of Bicyclo[3.2.1]oct-6-ene Frameworks via (4 + 3)-Cycloadditions ACS Catalysis, 2021, 536-543 |
| 4519237 | CIF | C30 H37 N3 O2 | P 1 21 1 | 11.5463; 9.2472; 12.8427 90; 93.224; 90 | 1369.06 | Xie, Ming-Sheng; Shan, Meng; Li, Ning; Chen, Yang-Guang; Wang, Xiao-Bing; Cheng, Xuan; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming Chiral 4-Aryl-pyridine-N-oxide Nucleophilic Catalysts: Design, Synthesis, and Application in Acylative Dynamic Kinetic Resolution ACS Catalysis, 2021, 877-891 |
| 4519238 | CIF | C14 H17 Br N4 O2 | P 1 21 1 | 12.1856; 6.3673; 21.5285 90; 103.252; 90 | 1625.9 | Xie, Ming-Sheng; Shan, Meng; Li, Ning; Chen, Yang-Guang; Wang, Xiao-Bing; Cheng, Xuan; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming Chiral 4-Aryl-pyridine-N-oxide Nucleophilic Catalysts: Design, Synthesis, and Application in Acylative Dynamic Kinetic Resolution ACS Catalysis, 2021, 877-891 |
| 4519239 | CIF | C46 H40 N4 O4 | P -1 | 11.2619; 12.7827; 13.9681 97.941; 98.176; 110.026 | 1831.9 | Kumar, Prashant; Kumar, Pravesh; Venkataramani, Sugumar; Ramasastry, S. S. V. Pd-Catalyzed Formal [3 + 3] Heteroannulation of Allylic gem-Diacetates: Synthesis of Chromene-Based Natural Products and Exploration of Photochromic Properties ACS Catalysis, 2021, 963-970 |
| 4519240 | CIF | C22 H18 O | P 1 21/c 1 | 11.7358; 10.5737; 13.773 90; 114.81; 90 | 1551.4 | Kumar, Prashant; Kumar, Pravesh; Venkataramani, Sugumar; Ramasastry, S. S. V. Pd-Catalyzed Formal [3 + 3] Heteroannulation of Allylic gem-Diacetates: Synthesis of Chromene-Based Natural Products and Exploration of Photochromic Properties ACS Catalysis, 2021, 963-970 |
| 4519241 | CIF | C19 H15 N O3 | P 1 | 7.8207; 8.7434; 12.0792 103.452; 90.191; 108.144 | 760.8 | Han, Xiao-Qing; Wang, Lei; Yang, Ping; Liu, Jing-Yuan; Xu, Wei-Yan; Zheng, Chao; Liang, Ren-Xiao; You, Shu-Li; Zhang, Junliang; Jia, Yi-Xia Enantioselective Dearomative Mizoroki–Heck Reaction of Naphthalenes ACS Catalysis, 2021, 655-661 |
| 4519242 | CIF | C19 H19 N O | P 1 21 1 | 11.8561; 10.1465; 12.2213 90; 91.807; 90 | 1469.5 | Han, Xiao-Qing; Wang, Lei; Yang, Ping; Liu, Jing-Yuan; Xu, Wei-Yan; Zheng, Chao; Liang, Ren-Xiao; You, Shu-Li; Zhang, Junliang; Jia, Yi-Xia Enantioselective Dearomative Mizoroki–Heck Reaction of Naphthalenes ACS Catalysis, 2021, 655-661 |
| 4519243 | CIF | C20 H17 N O2 | P 21 21 21 | 8.81977; 11.79139; 14.962 90; 90; 90 | 1556.01 | Han, Xiao-Qing; Wang, Lei; Yang, Ping; Liu, Jing-Yuan; Xu, Wei-Yan; Zheng, Chao; Liang, Ren-Xiao; You, Shu-Li; Zhang, Junliang; Jia, Yi-Xia Enantioselective Dearomative Mizoroki–Heck Reaction of Naphthalenes ACS Catalysis, 2021, 655-661 |
| 4519244 | CIF | C24 H19 N O2 | P 31 | 28.6928; 28.6928; 5.8824 90; 90; 120 | 4194 | Han, Xiao-Qing; Wang, Lei; Yang, Ping; Liu, Jing-Yuan; Xu, Wei-Yan; Zheng, Chao; Liang, Ren-Xiao; You, Shu-Li; Zhang, Junliang; Jia, Yi-Xia Enantioselective Dearomative Mizoroki–Heck Reaction of Naphthalenes ACS Catalysis, 2021, 655-661 |
| 4519245 | CIF | C25 H18 Cl2 Co N4 O6 | P -1 | 9.2834; 9.3346; 15.0022 91.257; 105.396; 99.442 | 1233.47 | Liu, Chang; Geer, Ana M.; Webber, Christopher; Musgrave, Charles B.; Gu, Shunyan; Johnson, Grayson; Dickie, Diane A.; Chabbra, Sonia; Schnegg, Alexander; Zhou, Hua; Sun, Cheng-Jun; Hwang, Sooyeon; Goddard, William A.; Zhang, Sen; Gunnoe, T. Brent Immobilization of “Capping Arene” Cobalt(II) Complexes on Ordered Mesoporous Carbon for Electrocatalytic Water Oxidation ACS Catalysis, 2021, 11, 15068-15082 |
| 4519246 | CIF | C81 H57 Cl2 Co4 N24 O24 | P 1 21/c 1 | 24.944; 10.3178; 33.2933 90; 93.102; 90 | 8556 | Liu, Chang; Geer, Ana M.; Webber, Christopher; Musgrave, Charles B.; Gu, Shunyan; Johnson, Grayson; Dickie, Diane A.; Chabbra, Sonia; Schnegg, Alexander; Zhou, Hua; Sun, Cheng-Jun; Hwang, Sooyeon; Goddard, William A.; Zhang, Sen; Gunnoe, T. Brent Immobilization of “Capping Arene” Cobalt(II) Complexes on Ordered Mesoporous Carbon for Electrocatalytic Water Oxidation ACS Catalysis, 2021, 11, 15068-15082 |
| 4519247 | CIF | C16 H19 N S | P 1 21/n 1 | 6.0388; 7.0061; 31.925 90; 95.408; 90 | 1344.68 | Xu, Xian; Zheng, Xizhou; Xu, Xin Synthesis of Tetrahydroquinolines by Scandium-Catalyzed [3 + 3] Annulation of Anilines with Allenes and Dienes ACS Catalysis, 2021, 11, 14995-15003 |
| 4519248 | CIF | C48 H50 N2 | P -1 | 10.1618; 13.2018; 13.798 92.736; 93.818; 93.332 | 1841.35 | Xu, Xian; Zheng, Xizhou; Xu, Xin Synthesis of Tetrahydroquinolines by Scandium-Catalyzed [3 + 3] Annulation of Anilines with Allenes and Dienes ACS Catalysis, 2021, 11, 14995-15003 |
| 4519249 | CIF | C26 H26 F12 Fe N8 P2 | P 21 21 21 | 8.1567; 10.4245; 35.595 90; 90; 90 | 3026.6 | Gonell, Sergio; Assaf, Eric A.; Lloret-Fillol, Julio; Miller, Alexander J. M. An Iron Bis(carbene) Catalyst for Low Overpotential CO2 Electroreduction to CO: Mechanistic Insights from Kinetic Zone Diagrams, Spectroscopy, and Theory ACS Catalysis, 2021, 11, 15212-15222 |
| 4519250 | CIF | C13 H18 N2 O5 S | P 1 21 1 | 15.2089; 6.4415; 15.8188 90; 103.255; 90 | 1508.5 | Li, Shuangqing; Wang, Shuangshuang; Li, Juan; Qi, Yue; Wang, Chao; Zong, Lili; Tan, Choon-Hong Monocationic Cinchoninium Catalyzed Asymmetric Oxohydroxylation of Enoates ACS Catalysis, 2021, 11, 15141-15148 |
| 4519251 | CIF | C28 H31 N O4 S | P 1 | 11.2477; 11.2911; 11.5245 85.163; 69.406; 65.577 | 1244.26 | Hirose, Jumpei; Wakikawa, Takumi; Satake, Shun; Kojima, Masahiro; Hatano, Manabu; Ishihara, Kazuaki; Yoshino, Tatsuhiko; Matsunaga, Shigeki Cp*RhIII/Chiral Disulfonate/CuOAc Catalyst System for the Enantioselective Intramolecular Oxyamination of Alkenes ACS Catalysis, 2021, 11, 15187-15193 |
| 4519283 | CIF | C64 H64 Cl4 Co4 F4 N8 O8 | P 1 21/c 1 | 10.159; 9.178; 17.895 90; 96.617; 90 | 1657.4 | Mills, L. Reginald; Gygi, David; Ludwig, Jacob R.; Simmons, Eric M.; Wisniewski, Steven R.; Kim, Junho; Chirik, Paul J. Cobalt-Catalyzed C(sp2)–C(sp3) Suzuki–Miyaura Cross-Coupling Enabled by Well-Defined Precatalysts with L,X-Type Ligands ACS Catalysis, 2022, 1905-1918 |
| 4519284 | CIF | C78 H130 Cl2 Co2 N8 O8 | P -1 | 9.1336; 12.9774; 18.9147 99.113; 96.967; 107.686 | 2074.56 | Mills, L. Reginald; Gygi, David; Ludwig, Jacob R.; Simmons, Eric M.; Wisniewski, Steven R.; Kim, Junho; Chirik, Paul J. Cobalt-Catalyzed C(sp2)–C(sp3) Suzuki–Miyaura Cross-Coupling Enabled by Well-Defined Precatalysts with L,X-Type Ligands ACS Catalysis, 2022, 1905-1918 |
| 4519285 | CIF | C54 H76 Co N2 O2 | P -1 | 14.2566; 14.6272; 15.6252 73.694; 69.455; 86.611 | 2925.6 | Mills, L. Reginald; Gygi, David; Ludwig, Jacob R.; Simmons, Eric M.; Wisniewski, Steven R.; Kim, Junho; Chirik, Paul J. Cobalt-Catalyzed C(sp2)–C(sp3) Suzuki–Miyaura Cross-Coupling Enabled by Well-Defined Precatalysts with L,X-Type Ligands ACS Catalysis, 2022, 1905-1918 |
| 4519286 | CIF | C58 H56 Cl8 Co2 N4 O8 | P 1 21/c 1 | 9.9281; 19.0648; 16.0575 90; 103.738; 90 | 2952.37 | Mills, L. Reginald; Gygi, David; Ludwig, Jacob R.; Simmons, Eric M.; Wisniewski, Steven R.; Kim, Junho; Chirik, Paul J. Cobalt-Catalyzed C(sp2)–C(sp3) Suzuki–Miyaura Cross-Coupling Enabled by Well-Defined Precatalysts with L,X-Type Ligands ACS Catalysis, 2022, 1905-1918 |
| 4519287 | CIF | C56 H48 Co2 N4 O8 | P -1 | 8.9504; 11.3578; 11.9921 84.297; 87.43; 71.693 | 1151.53 | Mills, L. Reginald; Gygi, David; Ludwig, Jacob R.; Simmons, Eric M.; Wisniewski, Steven R.; Kim, Junho; Chirik, Paul J. Cobalt-Catalyzed C(sp2)–C(sp3) Suzuki–Miyaura Cross-Coupling Enabled by Well-Defined Precatalysts with L,X-Type Ligands ACS Catalysis, 2022, 1905-1918 |
| 4519288 | CIF | C20 H21 F2 N O3 Si | P 1 | 9.1912; 12.9247; 18.6126 97.232; 97.041; 109.612 | 2033.8 | Fang, Xiaowu; Wen, Songwei; Jin, Peishen; Bao, Wenjing; Liu, Shanshan; Cong, Hengjiang; Shen, Xiao Synthesis of Enantioenriched Fluorinated Enol Silanes Enabled by Asymmetric Reductive Coupling of Fluoroalkylacylsilanes and 1,3-Enynes and Brook Rearrangement ACS Catalysis, 2022, 2150-2157 |
| 4519289 | CIF | C32 H40 B2 F3 Fe N O6 | P 21 21 21 | 11.6087; 12.4217; 22.4749 90; 90; 90 | 3240.88 | Zou, Xiaoliang; Li, Yinwu; Ke, Zhuofeng; Xu, Senmiao Chiral Bidentate Boryl Ligand-Enabled Iridium-Catalyzed Enantioselective Dual C–H Borylation of Ferrocenes: Reaction Development and Mechanistic Insights ACS Catalysis, 2022, 1830-1840 |
| 4519290 | CIF | C22 H24 Cl N O4 S | P 1 21 1 | 9.8706; 5.4872; 20.3442 90; 95.248; 90 | 1097.26 | Liu, Yun; Chen, Yushuang; Yihuo, Aying; Zhou, Yuqiao; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming Diastereodivergent Synthesis of Chiral α-Aminoketones via a Catalytic O–H Insertion/Barnes–Claisen Rearrangement Reaction ACS Catalysis, 2022, 1784-1790 |
| 4519291 | CIF | C20 H21 N O4 S | C 1 2 1 | 22.954; 8.0412; 10.4938 90; 94.297; 90 | 1931.5 | Liu, Yun; Chen, Yushuang; Yihuo, Aying; Zhou, Yuqiao; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming Diastereodivergent Synthesis of Chiral α-Aminoketones via a Catalytic O–H Insertion/Barnes–Claisen Rearrangement Reaction ACS Catalysis, 2022, 1784-1790 |
| 4519292 | CIF | C20 H21 N O4 S | P 21 21 21 | 5.3884; 14.8582; 23.6108 90; 90; 90 | 1890.33 | Liu, Yun; Chen, Yushuang; Yihuo, Aying; Zhou, Yuqiao; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming Diastereodivergent Synthesis of Chiral α-Aminoketones via a Catalytic O–H Insertion/Barnes–Claisen Rearrangement Reaction ACS Catalysis, 2022, 1784-1790 |
| 4519293 | CIF | C12 H18 O3 | P 21 21 21 | 4.6204; 7.0144; 36.1467 90; 90; 90 | 1171.49 | Gu, Xue-Song; Xiong, Ying; Yang, Fan; Yu, Na; Yan, Pu-Cha; Xie, Jian-Hua; Zhou, Qi-Lin Enantioselective Hydrogenation toward Chiral 3-Aryloxy Tetrahydrofurans Enabled by Spiro Ir-PNN Catalysts Containing an Unusual 5-Substituted Chiral Oxazoline Unit ACS Catalysis, 2022, 2206-2211 |
| 4519294 | CIF | C51 H60 Co N4 O11 S2 | P 1 21/c 1 | 13.1519; 27.2945; 14.7065 90; 97.54; 90 | 5233.6 | Zhang, He; Sun, Meng-Chan; Yang, Dandan; Li, Tong; Song, Mao-Ping; Niu, Jun-Long Cobalt(II)-Catalyzed Activation of C(sp3)–H Bonds: Organic Oxidant Enabled Selective Functionalization ACS Catalysis, 2022, 1650-1656 |
| 4519295 | CIF | C26 H20 N2 O | C 1 2/c 1 | 30.4714; 7.81348; 16.8852 90; 96.0459; 90 | 3997.8 | Zhang, He; Sun, Meng-Chan; Yang, Dandan; Li, Tong; Song, Mao-Ping; Niu, Jun-Long Cobalt(II)-Catalyzed Activation of C(sp3)–H Bonds: Organic Oxidant Enabled Selective Functionalization ACS Catalysis, 2022, 1650-1656 |
| 4519296 | CIF | C42 H42 N2 Ni O5 P2 S | P 1 21/n 1 | 11.9758; 27.1961; 12.687 90; 107.865; 90 | 3932.9 | Simon, Connor M.; Dudra, Samantha L.; McGuire, Ryan T.; Ferguson, Michael J.; Johnson, Erin R.; Stradiotto, Mark Identification of a Nitrenoid Reductive Elimination Pathway in Nickel-Catalyzed C–N Cross-Coupling ACS Catalysis, 2022, 12, 1475-1480 |
| 4519297 | CIF | C48 H51 N Ni O5 P2 S | P -1 | 10.7191; 12.009; 18.2064 82.6614; 76.5673; 71.5732 | 2158.89 | Simon, Connor M.; Dudra, Samantha L.; McGuire, Ryan T.; Ferguson, Michael J.; Johnson, Erin R.; Stradiotto, Mark Identification of a Nitrenoid Reductive Elimination Pathway in Nickel-Catalyzed C–N Cross-Coupling ACS Catalysis, 2022, 12, 1475-1480 |
| 4519298 | CIF | C40 H40 B2 Cl3 Cu F8 N4 O2 | P 21 21 21 | 13.07; 14.339; 21.988 90; 90; 90 | 4120.8 | Nishimura, Kazuki; Wang, Yanzhao; Ogura, Yoshihiro; Kumagai, Jun; Ishihara, Kazuaki A π–Cu(II)−π Complex as an Extremely Active Catalyst for Enantioselective α-Halogenation of N-Acyl-3,5-dimethylpyrazoles ACS Catalysis, 2022, 12, 1012-1017 |
| 4519299 | CIF | C41 H48 Cu F6 N4 O10 S2 | P 21 21 21 | 14.6616; 15.7092; 19.6198 90; 90; 90 | 4518.9 | Nishimura, Kazuki; Wang, Yanzhao; Ogura, Yoshihiro; Kumagai, Jun; Ishihara, Kazuaki A π–Cu(II)−π Complex as an Extremely Active Catalyst for Enantioselective α-Halogenation of N-Acyl-3,5-dimethylpyrazoles ACS Catalysis, 2022, 12, 1012-1017 |
| 4519300 | CIF | C24 H21 N | C 1 2/c 1 | 24.644; 7.0908; 20.5784 90; 91.432; 90 | 3594.9 | Rodriguez, Jessica; Vesseur, David; Tabey, Alexis; Mallet-Ladeira, Sonia; Miqueu, Karinne; Bourissou, Didier Au(I)/Au(III) Catalytic Allylation Involving π-Allyl Au(III) Complexes ACS Catalysis, 2022, 12, 993-1003 |
| 4519301 | CIF | C40 H38 N2 O8 S2 | P 1 21/c 1 | 14.4266; 7.4071; 33.2757 90; 96.682; 90 | 3531.66 | He, Qiyuan; Yamazaki, Ken; Ano, Yusuke; Chatani, Naoto Palladium-Catalyzed Site-Selective [5 + 1] Annulation of Aromatic Amides with Alkenes: Acceleration of β-Hydride Elimination by Maleic Anhydride from Palladacycle ACS Catalysis, 2022, 12, 1595-1600 |
| 4519302 | CIF | C28 H37 N O3 | C 1 2/c 1 | 27.2805; 9.5063; 18.9097 90; 92.819; 90 | 4898.04 | Su, Yong-Liang; Liu, Geng-Xin; De Angelis, Luca; He, Ru; Al-Sayyed, Ammar; Schanze, Kirk S.; Hu, Wen-Hao; Qiu, Huang; Doyle, Michael P. Radical Cascade Multicomponent Minisci Reactions with Diazo Compounds ACS Catalysis, 2022, 12, 1357-1363 |
| 4519303 | CIF | C25 H36 N O3 | C 1 2/c 1 | 24.2586; 10.3745; 18.8315 90; 93.703; 90 | 4729.4 | Su, Yong-Liang; Liu, Geng-Xin; De Angelis, Luca; He, Ru; Al-Sayyed, Ammar; Schanze, Kirk S.; Hu, Wen-Hao; Qiu, Huang; Doyle, Michael P. Radical Cascade Multicomponent Minisci Reactions with Diazo Compounds ACS Catalysis, 2022, 12, 1357-1363 |
| 4519304 | CIF | C16 H15 N O | P -1 | 4.86815; 8.4796; 15.0305 75.423; 85.496; 84.466 | 596.74 | Leclair, Alexandre; Wang, Qian; Zhu, Jieping Two-Carbon Ring Expansion of Cyclobutanols to Cyclohexenones Enabled by Indole Radical Cation Intermediate: Development and Application to a Total Synthesis of Uleine ACS Catalysis, 2022, 12, 1209-1215 |
| 4519305 | CIF | C19 H17 N O | P b c n | 26.2423; 15.2953; 7.4169 90; 90; 90 | 2977.02 | Zhao, Xin; Yang, Fang; Zou, Shao-Yu; Zhou, Qian-Qian; Chen, Zi-Sheng; Ji, Kegong Cu-Catalyzed Intermolecular γ-Site C–H Amination of Cyclohexenone Derivatives: The Benefit of Bifunctional Ligands ACS Catalysis, 2022, 1732-1741 |
| 4519306 | CIF | C36 H35 N3 O8 | P -1 | 6.8134; 14.9283; 16.487 87.748; 78.963; 79.267 | 1617.11 | Zhao, Xin; Yang, Fang; Zou, Shao-Yu; Zhou, Qian-Qian; Chen, Zi-Sheng; Ji, Kegong Cu-Catalyzed Intermolecular γ-Site C–H Amination of Cyclohexenone Derivatives: The Benefit of Bifunctional Ligands ACS Catalysis, 2022, 1732-1741 |
| 4519307 | CIF | C23 H25 N5 O4 | P 21 21 21 | 6.36481; 17.9645; 18.8399 90; 90; 90 | 2154.17 | Zhao, Xin; Yang, Fang; Zou, Shao-Yu; Zhou, Qian-Qian; Chen, Zi-Sheng; Ji, Kegong Cu-Catalyzed Intermolecular γ-Site C–H Amination of Cyclohexenone Derivatives: The Benefit of Bifunctional Ligands ACS Catalysis, 2022, 1732-1741 |
| 4519327 | CIF | C18 H22 O3 | P 21 21 21 | 8.9764; 10.4533; 16.0723 90; 90; 90 | 1508.11 | Peng, Yaqin; Gao, Chenghua; Zhang, Zili; Wu, Shijie; Zhao, Jing; Li, Aitao A Chemoenzymatic Strategy for the Synthesis of Steroid Drugs Enabled by P450 Monooxygenase-Mediated Steroidal Core Modification ACS Catalysis, 2022, 2907-2914 |
| 4519328 | CIF | C30 H50 N3 O3 Sc Si2 | P -1 | 9.295; 9.951; 18.689 96.21; 96.947; 109.414 | 1597.9 | Belli, Roman G.; Tafuri, Victoria C.; Joannou, Matthew V.; Roberts, Courtney C. d0 Metal-Catalyzed Alkyl–Alkyl Cross-Coupling Enabled by a Redox-Active Ligand ACS Catalysis, 2022, 3094-3099 |
| 4519329 | CIF | C22 H19 Fe N O3 | P 1 21 1 | 6.7812; 22.3955; 12.8222 90; 105.197; 90 | 1879.19 | Wang, Quannan; Nie, Yu-Han; Liu, Chen-Xu; Zhang, Wen-Wen; Wu, Zhi-Jie; Gu, Qing; Zheng, Chao; You, Shu-Li Rhodium(III)-Catalyzed Enantioselective C–H Activation/Annulation of Ferrocenecarboxamides with Internal Alkynes ACS Catalysis, 2022, 3083-3093 |
| 4519330 | CIF | C23 H18 O | P -1 | 8.8621; 10.1071; 10.9059 93.225; 112.881; 109.629 | 827.8 | Abel-Snape, Xavier; Wycich, Gina; Lautens, Mark Synthesis of Indenes and Benzofulvenes via a Palladium-Catalyzed Three-Component Reaction ACS Catalysis, 2022, 3291-3301 |
| 4519331 | CIF | C17 H14 O4 | P 21 21 21 | 6.37486; 13.7162; 15.6002 90; 90; 90 | 1364.06 | Li, Xuetong; Villar-Yanez, Alba; Ngassam Tounzoua, Charlene; Benet-Buchholz, Jordi; Grignard, Bruno; Bo, Carles; Detrembleur, Christophe; Kleij, Arjan W. Cascade Transformation of Carbon Dioxide and Alkyne-1,n-diols into Densely Substituted Cyclic Carbonates ACS Catalysis, 2022, 2854-2860 |
| 4519332 | CIF | C11 H10 O4 | P 1 21/c 1 | 7.4832; 16.3724; 8.0317 90; 109.335; 90 | 928.53 | Li, Xuetong; Villar-Yanez, Alba; Ngassam Tounzoua, Charlene; Benet-Buchholz, Jordi; Grignard, Bruno; Bo, Carles; Detrembleur, Christophe; Kleij, Arjan W. Cascade Transformation of Carbon Dioxide and Alkyne-1,n-diols into Densely Substituted Cyclic Carbonates ACS Catalysis, 2022, 2854-2860 |
| 4519333 | CIF | C7 H10 O4 | P 1 21/n 1 | 6.8234; 9.9156; 10.9182 90; 93.902; 90 | 737 | Li, Xuetong; Villar-Yanez, Alba; Ngassam Tounzoua, Charlene; Benet-Buchholz, Jordi; Grignard, Bruno; Bo, Carles; Detrembleur, Christophe; Kleij, Arjan W. Cascade Transformation of Carbon Dioxide and Alkyne-1,n-diols into Densely Substituted Cyclic Carbonates ACS Catalysis, 2022, 2854-2860 |
| 4519334 | CIF | C20 H45 B F4 N2 Ni O P2 | P -1 | 9.7943; 10.8646; 13.9683 100.077; 105.481; 107.418 | 1313.2 | Gunasekara, Thilina; Tong, Yicheng; Speelman, Amy L.; Erickson, Jeremy D.; Appel, Aaron M.; Hall, Michael B.; Wiedner, Eric S. Role of High-Spin Species and Pendant Amines in Electrocatalytic Alcohol Oxidation by a Nickel Phosphine Complex ACS Catalysis, 2022, 2729-2740 |
| 4519335 | CIF | C32 H57.25 B2 F8 N2.5 Ni P2 | P -1 | 12.173; 20.1578; 33.802 106.291; 97.137; 92.346 | 7874.6 | Gunasekara, Thilina; Tong, Yicheng; Speelman, Amy L.; Erickson, Jeremy D.; Appel, Aaron M.; Hall, Michael B.; Wiedner, Eric S. Role of High-Spin Species and Pendant Amines in Electrocatalytic Alcohol Oxidation by a Nickel Phosphine Complex ACS Catalysis, 2022, 2729-2740 |
| 4519336 | CIF | C25 H36 Fe N2 Si | C m c e | 18.7305; 14.4274; 17.8945 90; 90; 90 | 4835.7 | Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L. Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes ACS Catalysis, 2022, 2979-2985 |
| 4519337 | CIF | C37 H57 B Fe N2 | P n m a | 19.2143; 20.1989; 9.3011 90; 90; 90 | 3609.83 | Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L. Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes ACS Catalysis, 2022, 2979-2985 |
| 4519338 | CIF | C29 H41 B Fe N2 | C 1 2/c 1 | 18.1664; 12.4604; 23.9387 90; 94.823; 90 | 5399.59 | Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L. Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes ACS Catalysis, 2022, 2979-2985 |
| 4519339 | CIF | C42 H52 Fe2 N4 | P n m a | 21.9805; 16.4818; 10.6196 90; 90; 90 | 3847.25 | Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L. Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes ACS Catalysis, 2022, 2979-2985 |
| 4519340 | CIF | C42 H50 Fe N4 | P 1 21/n 1 | 10.9682; 17.6194; 18.8246 90; 95.32; 90 | 3622.24 | Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L. Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes ACS Catalysis, 2022, 2979-2985 |
| 4519341 | CIF | C21 H19 Fe N O6 | P 1 21 1 | 7.6105; 8.0429; 15.2788 90; 101.481; 90 | 916.51 | Lv, Xiaokang; Xu, Jun; Sun, Cuiyun; Su, Fen; Cai, Yuanlin; Jin, Zhichao; Chi, Yonggui Robin Access to Planar Chiral Ferrocenes via N-Heterocyclic Carbene-Catalyzed Enantioselective Desymmetrization Reactions ACS Catalysis, 2022, 12, 2706-2713 |
| 4519342 | CIF | C16 H17 N3 O3 | P 1 21/n 1 | 11.5366; 9.0589; 30.02 90; 98.806; 90 | 3100.4 | Wang, Chang-An; Rahman, Md. Mahbubur; Bisz, Elwira; Dziuk, Błażej; Szostak, Roman; Szostak, Michal Palladium-NHC (NHC = N-heterocyclic Carbene)-Catalyzed Suzuki–Miyaura Cross-Coupling of Alkyl Amides ACS Catalysis, 2022, 12, 2426-2433 |
| 4519343 | CIF | C55 H52 Br Co N2 P2 | P 1 21/c 1 | 10.276; 26.264; 17.399 90; 103.191; 90 | 4571.9 | Jheng, Nai-Yuan; Ishizaka, Yusuke; Naganawa, Yuki; Minami, Yasunori; Sekiguchi, Akira; Iizuka, Kosuke; Nakajima, Yumiko Radical Hydrodehalogenation of Aryl Halides with H2 Catalyzed by a Phenanthroline-Based PNNP Cobalt(I) Complex ACS Catalysis, 2022, 12, 2320-2329 |
| 4519375 | CIF | C15 H17 N3 O | P -1 | 7.688; 9.1076; 10.6827 95.94; 109.12; 110.396 | 642.108 | Khake, Shrikant M.; Chatani, Naoto Rhodium(III)-Catalyzed Oxidative C–H Alkylation of Aniline Derivatives with Allylic Alcohols To Produce β-Aryl Ketones ACS Catalysis, 2022, 4394-4401 |
| 4519376 | CIF | C32 H36 F6 N3 P Pd S | C 1 c 1 | 20.3; 10.543; 15.816 90; 109.54; 90 | 3190 | Alberoni, Chiara; D’Alterio, Massimo C.; Balducci, Gabriele; Immirzi, Barbara; Polentarutti, Maurizio; Pellecchia, Claudio; Milani, Barbara Tunable “In-Chain” and “At the End of the Branches” Methyl Acrylate Incorporation in the Polyolefin Skeleton through Pd(II) Catalysis ACS Catalysis, 2022, 12, 3430-3443 |
| 4519377 | CIF | C34.5 H41 Cl F6 N3 P Pd S | P 1 21/c 1 | 12.153; 28.037; 21.613 90; 94.356; 90 | 7343 | Alberoni, Chiara; D’Alterio, Massimo C.; Balducci, Gabriele; Immirzi, Barbara; Polentarutti, Maurizio; Pellecchia, Claudio; Milani, Barbara Tunable “In-Chain” and “At the End of the Branches” Methyl Acrylate Incorporation in the Polyolefin Skeleton through Pd(II) Catalysis ACS Catalysis, 2022, 12, 3430-3443 |
| 4519378 | CIF | C19 H21 Bi F3 N | P 1 21/c 1 | 12.9594; 9.2852; 14.7567 90; 91.483; 90 | 1775.09 | Louis-Goff, Thomas; Trinh, Huu Vinh; Chen, Eileen; Rheingold, Arnold L.; Ehm, Christian; Hyvl, Jakub Stabilizing Effect of Pre-equilibria: A Trifluoromethyl Complex as a CF2 Reservoir in Catalytic Olefin Difluorocarbenation ACS Catalysis, 2022, 12, 3719-3730 |
| 4519379 | CIF | C15 H14 Bi F3 | P b c a | 17.435; 9.004; 18.23 90; 90; 90 | 2861.8 | Louis-Goff, Thomas; Trinh, Huu Vinh; Chen, Eileen; Rheingold, Arnold L.; Ehm, Christian; Hyvl, Jakub Stabilizing Effect of Pre-equilibria: A Trifluoromethyl Complex as a CF2 Reservoir in Catalytic Olefin Difluorocarbenation ACS Catalysis, 2022, 12, 3719-3730 |
| 4519380 | CIF | C16 H14 Bi F3 | P b c a | 9.7284; 9.7063; 30.3122 90; 90; 90 | 2862.3 | Louis-Goff, Thomas; Trinh, Huu Vinh; Chen, Eileen; Rheingold, Arnold L.; Ehm, Christian; Hyvl, Jakub Stabilizing Effect of Pre-equilibria: A Trifluoromethyl Complex as a CF2 Reservoir in Catalytic Olefin Difluorocarbenation ACS Catalysis, 2022, 12, 3719-3730 |
| 4519381 | CIF | C23 H22 O | P 1 21/c 1 | 6.1078; 23.368; 12.0794 90; 100.277; 90 | 1696.4 | Xue, Sijing; Cristòfol, Àlex; Limburg, Bart; Zeng, Qian; Kleij, Arjan W. Dual Cobalt/Organophotoredox Catalysis for Diastereo- and Regioselective 1,2-Difunctionalization of 1,3-Diene Surrogates Creating Quaternary Carbon Centers ACS Catalysis, 2022, 12, 3651-3659 |
| 4519382 | CIF | C20 H26 O2 | P -1 | 10.2627; 13.449; 14.5521 115.316; 101.172; 101.362 | 1690.21 | Xue, Sijing; Cristòfol, Àlex; Limburg, Bart; Zeng, Qian; Kleij, Arjan W. Dual Cobalt/Organophotoredox Catalysis for Diastereo- and Regioselective 1,2-Difunctionalization of 1,3-Diene Surrogates Creating Quaternary Carbon Centers ACS Catalysis, 2022, 12, 3651-3659 |
| 4519383 | CIF | C33 H50 N3 Ni O5 P | P 1 21/c 1 | 16.5365; 15.9821; 12.9995 90; 97.271; 90 | 3408 | Takahashi, Kohei; Sakurazawa, Yuji; Iwai, Asaki; Iwasawa, Nobuharu Catalytic Synthesis of a Methylmalonate Salt from Ethylene and Carbon Dioxide through Photoinduced Activation and Photoredox-Catalyzed Reduction of Nickelalactones ACS Catalysis, 2022, 12, 3776-3781 |
| 4519384 | CIF | C31 H49 Au F6 P Sb | P -1 | 8.7636; 13.6876; 28.412 86.489; 89.678; 77.831 | 3325.2 | Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts ACS Catalysis, 2022, 12, 4227-4241 |
| 4519385 | CIF | C63 H81 Au F3 N2 O P Sb0.5 | P -1 | 15.519; 15.638; 17.4595 68.369; 80.53; 65.864 | 3594 | Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts ACS Catalysis, 2022, 12, 4227-4241 |
| 4519386 | CIF | C46 H67 Au Cl P | P 21 21 21 | 12.6694; 18.1472; 18.894 90; 90; 90 | 4344 | Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts ACS Catalysis, 2022, 12, 4227-4241 |
| 4519387 | CIF | C53 H82 Au Cl4 F6 P Sb | C 1 2/c 1 | 33.253; 13.3849; 26.02 90; 93.079; 90 | 11564.5 | Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts ACS Catalysis, 2022, 12, 4227-4241 |
| 4519388 | CIF | C126 H159 Au2 F12 P2 Sb2 | P 1 21/n 1 | 13.714; 51.58; 18.755 90; 99.2; 90 | 13096 | Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts ACS Catalysis, 2022, 12, 4227-4241 |
| 4519389 | CIF | C120 H165 Au3 Cl3 P3 | C 1 2/c 1 | 54.233; 14.371; 32.268 90; 102.216; 90 | 24580 | Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts ACS Catalysis, 2022, 12, 4227-4241 |
| 4519390 | CIF | C32 H39 Au F6 P Sb | P 1 21/n 1 | 11.3949; 16.7262; 18.567 90; 104.78; 90 | 3421.7 | Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts ACS Catalysis, 2022, 12, 4227-4241 |
| 4519391 | CIF | C66 H90 Au F6 N P Sb | P -1 | 15.3509; 15.473; 19.0096 95.2651; 103.141; 117.913 | 3781 | Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts ACS Catalysis, 2022, 12, 4227-4241 |
| 4519392 | CIF | C53 H59 Cl2 Co N4 O2 Zn | P -1 | 10.7552; 11.5789; 21.0514 103.464; 93.118; 103.01 | 2468.27 | de Vries, Folkert; Otten, Edwin Reversible On/Off Switching of Lactide Cyclopolymerization with a Redox-Active Formazanate Ligand ACS Catalysis, 2022, 12, 4125-4130 |
| 4519393 | CIF | C59 H52 N8 O2 Zn2 | P -1 | 9.1508; 10.8692; 14.2352 80.73; 73.248; 67.252 | 1248.34 | de Vries, Folkert; Otten, Edwin Reversible On/Off Switching of Lactide Cyclopolymerization with a Redox-Active Formazanate Ligand ACS Catalysis, 2022, 12, 4125-4130 |
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