Crystallography Open Database
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Result : There are 184 entries in the selection
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Searching journal of publication like 'ACS Catalysis' volume of publication is 11
| COD ID: 4518430 | |
| CIF file | Formula: - C48 H52 Cl4 N2 O Ru Si - Comments: Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis 11(4) (2021) 1977-1987 Space group: P n a 21 Cell volume: 4474 Cell parameters: 15.2754; 28.119; 10.416; 90; 90; 90; |
| COD ID: 4518431 | |
| CIF file | Formula: - C43 H51 Cl4 N3 O3 Ru S - Comments: Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis 11(4) (2021) 1977-1987 Space group: P 1 21/n 1 Cell volume: 4440.1 Cell parameters: 13.6581; 10.7783; 30.3452; 90; 96.306; 90; |
| COD ID: 4518432 | |
| CIF file | Formula: - C41 H47 Cl4 N3 O2 Ru S - Comments: Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis 11(4) (2021) 1977-1987 Space group: P b c a Cell volume: 8307 Cell parameters: 21.747; 16.485; 23.171; 90; 90; 90; |
| COD ID: 4518433 | |
| CIF file | Formula: - C55 H67 Cl2 N3 O6 Ru S - Comments: Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis 11(4) (2021) 1977-1987 Space group: P -1 Cell volume: 2603.1 Cell parameters: 11.0039; 12.6857; 20.649; 101.995; 101.394; 106.335; |
| COD ID: 4518434 | |
| CIF file | Formula: - C42 H44 Cl2 Fe N2 Ru - Comments: Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis 11(4) (2021) 1977-1987 Space group: P -1 Cell volume: 1862.7 Cell parameters: 12.269; 13.206; 13.74; 103.978; 96.479; 116.864; |
| COD ID: 4518435 | |
| CIF file | Formula: - C59 H75 Cl4 N3 O7 Ru S - Comments: Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis 11(4) (2021) 1977-1987 Space group: P -1 Cell volume: 2963.8 Cell parameters: 12.58; 13.814; 19.537; 90.61; 105.904; 113.609; |
| COD ID: 4518436 | |
| CIF file | Formula: - C48 H51 Cl2 N4 O4 Ru S2 - Comments: Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis 11(4) (2021) 1977-1987 Space group: P 1 21/n 1 Cell volume: 4760.8 Cell parameters: 11.6701; 29.6716; 13.7738; 90; 93.446; 90; |
| COD ID: 4518437 | |
| CIF file | Formula: - C41 H52 Cl2 N2 O Ru - Comments: Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis 11(4) (2021) 1977-1987 Space group: P -1 Cell volume: 1864.5 Cell parameters: 10.2526; 12.923; 14.9304; 75.27; 77.074; 87.61; |
| COD ID: 4518438 | |
| CIF file | Formula: - C40 H45 Cl4 N3 O2 Ru S - Comments: Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis 11(4) (2021) 1977-1987 Space group: P 1 21/c 1 Cell volume: 4148 Cell parameters: 8.471; 26.951; 18.341; 90; 97.843; 90; |
| COD ID: 4518439 | |
| CIF file | Formula: - C46 H55 Cl6 N3 O2 Ru S - Comments: Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis 11(4) (2021) 1977-1987 Space group: P 1 21/n 1 Cell volume: 4858.1 Cell parameters: 15.3127; 13.8064; 22.985; 90; 91.3; 90; |
| COD ID: 4518440 | |
| CIF file | Formula: - C43 H51 Cl4 N3 O3 Ru S - Comments: Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis 11(4) (2021) 1977-1987 Space group: P 1 21/n 1 Cell volume: 4510 Cell parameters: 13.3662; 19.3514; 18.2778; 90; 107.451; 90; |
| COD ID: 4518441 | |
| CIF file | Formula: - C37.5 H39 Cl5 N3 O2 Ru - Comments: Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis 11(4) (2021) 1977-1987 Space group: P 1 21/n 1 Cell volume: 8016 Cell parameters: 19.5436; 16.2686; 25.2292; 90; 92.134; 90; |
| COD ID: 4518442 | |
| CIF file | Formula: - C38 H46 Cl2 N2 Ru - Comments: Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis 11(4) (2021) 1977-1987 Space group: P 1 21 1 Cell volume: 1742.7 Cell parameters: 11.9816; 10.5576; 13.8098; 90; 93.972; 90; |
| COD ID: 4518443 | |
| CIF file | Formula: - C41 H42 Cl2 N3 O3 Ru S - Comments: Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis 11(4) (2021) 1977-1987 Space group: P 1 21/c 1 Cell volume: 3823 Cell parameters: 10.9001; 16.3943; 21.6403; 90; 98.664; 90; |
| COD ID: 4518444 | |
| CIF file | Formula: - C48 H57 Cl2 N3 O3 Ru S - Comments: Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis 11(4) (2021) 1977-1987 Space group: P 1 21/c 1 Cell volume: 5300 Cell parameters: 12.6853; 12.842; 32.754; 90; 96.636; 90; |
| COD ID: 4518468 | |
| CIF file | Formula: - C18 H17 N O S2 - Comments: Wang, Rong-Hua; Li, Jiang-Fei; Li, Yue; Qi, Shao-Long; Zhang, Tao; Luan, Yu-Xin; Ye, Mengchun Selective C(sp3)–H Cleavage of Enamides for Synthesis of 2-Pyridones via Ligand-Enabled Ni–Al Bimetallic Catalysis ACS Catalysis 11(2) (2021) 858-864 Space group: P 1 21/n 1 Cell volume: 1515.5 Cell parameters: 5.591; 21.778; 12.608; 90; 99.18; 90; |
| COD ID: 4518469 | |
| CIF file | Formula: - C32 H40 I N3 O5 S - Comments: Zhang, Yueteng; Ji, Peng; Gao, Feng; Huang, He; Zeng, Fanxun; Wang, Wei Photoredox Asymmetric Nucleophilic Dearomatization of Indoles with Neutral Radicals ACS Catalysis 11(2) (2021) 998-1007 Space group: P 1 21 1 Cell volume: 3257.9 Cell parameters: 12.5558; 12.2352; 21.214; 90; 91.478; 90; |
| COD ID: 4518470 | |
| CIF file | Formula: - C27 H28 N2 O5 S - Comments: Zhang, Yueteng; Ji, Peng; Gao, Feng; Huang, He; Zeng, Fanxun; Wang, Wei Photoredox Asymmetric Nucleophilic Dearomatization of Indoles with Neutral Radicals ACS Catalysis 11(2) (2021) 998-1007 Space group: C 1 2 1 Cell volume: 2410.3 Cell parameters: 22.7379; 7.3689; 14.3911; 90; 91.61; 90; |
| COD ID: 4518471 | |
| CIF file | Formula: - C19 H2 B F13 - Comments: Nakashima, Tomoya; Nakayama, Yuushou; Shiono, Takeshi; Tanaka, Ryo Neutral, Noncoordinating, and Hydrocarbon-Soluble Protic Cocatalyst for Olefin Polymerization ACS Catalysis 11(2) (2021) 865-870 Space group: P 1 21/a 1 Cell volume: 1665.2 Cell parameters: 9.912; 17.662; 10.435; 90; 114.281; 90; |
| COD ID: 4518472 | |
| CIF file | Formula: - C13 H3 B F8 O - Comments: Nakashima, Tomoya; Nakayama, Yuushou; Shiono, Takeshi; Tanaka, Ryo Neutral, Noncoordinating, and Hydrocarbon-Soluble Protic Cocatalyst for Olefin Polymerization ACS Catalysis 11(2) (2021) 865-870 Space group: P 1 21/c 1 Cell volume: 1132.02 Cell parameters: 16.0009; 4.7685; 16.6499; 90; 116.991; 90; |
| COD ID: 4518473 | |
| CIF file | Formula: - C15 H8 F8 Sn - Comments: Nakashima, Tomoya; Nakayama, Yuushou; Shiono, Takeshi; Tanaka, Ryo Neutral, Noncoordinating, and Hydrocarbon-Soluble Protic Cocatalyst for Olefin Polymerization ACS Catalysis 11(2) (2021) 865-870 Space group: P 1 21/m 1 Cell volume: 732.6 Cell parameters: 7.1648; 12.225; 8.905; 90; 110.083; 90; |
| COD ID: 4518514 | |
| CIF file | Formula: - C26 H45 B11 Cl11 F N2 Si Ti - Comments: 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 11(6) (2021) 3335-3342 Space group: P 1 21/c 1 Cell volume: 4504.3 Cell parameters: 11.657; 32.375; 12.033; 90; 97.304; 90; |
| COD ID: 4518515 | |
| CIF file | Formula: - C40 H69 B11 Cl11 F N2 Si2 Ti2 - Comments: 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 11(6) (2021) 3335-3342 Space group: P -1 Cell volume: 3052.9 Cell parameters: 12.1095; 15.0642; 17.4165; 83.88; 75.362; 85.783; |
| COD ID: 4518524 | |
| CIF file | Formula: - C15 H22 N2 O2 S - Comments: 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 11(4) (2021) 2253-2266 Space group: C 1 2/c 1 Cell volume: 3174.3 Cell parameters: 28.027; 10.1457; 12.2742; 90; 114.564; 90; |
| COD ID: 4518525 | |
| CIF file | Formula: - C22 H27 N O2 - Comments: 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 11(4) (2021) 2279-2287 Space group: P 1 21 1 Cell volume: 962.76 Cell parameters: 10.30461; 7.07541; 13.213; 90; 92.0022; 90; |
| COD ID: 4518526 | |
| CIF file | Formula: - C55 H76 B Br Ca N6 O - Comments: Zhao, Lanxiao; Shi, Xianghui; Cheng, Jianhua Calcium-Catalyzed Dehydrogenative Silylation of Aromatic Ethers with Hydrosilane ACS Catalysis 11(4) (2021) 2041-2046 Space group: P 1 21/n 1 Cell volume: 5102.1 Cell parameters: 12.9092; 22.3669; 18.0189; 90; 101.288; 90; |
| COD ID: 4518527 | |
| CIF file | Formula: - C56 H79 B Ca N6 O - Comments: Zhao, Lanxiao; Shi, Xianghui; Cheng, Jianhua Calcium-Catalyzed Dehydrogenative Silylation of Aromatic Ethers with Hydrosilane ACS Catalysis 11(4) (2021) 2041-2046 Space group: P 1 21/n 1 Cell volume: 4999.9 Cell parameters: 13.0462; 21.9662; 17.99; 90; 104.112; 90; |
| COD ID: 4518533 | |
| CIF file | Formula: - C15 H22 N2 O - Comments: 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 11(6) (2021) 3466-3472 Space group: P 1 21/c 1 Cell volume: 1501.57 Cell parameters: 12.771; 12.1463; 9.6862; 90; 92.048; 90; |
| COD ID: 4518535 | |
| CIF file | Formula: - C25 H47 Cl N O3 P S - Comments: 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 11(6) (2021) 3498-3506 Space group: P 1 21/n 1 Cell volume: 2831.1 Cell parameters: 8.3926; 23.5709; 14.3271; 90; 92.6796; 90; |
| COD ID: 4518536 | |
| CIF file | Formula: - C25 H30 O3 Si - Comments: Zhang, Liangliang; Oestreich, Martin Diastereotopic Group-Selective Intramolecular Aldol Reactions Initiated by Enantioselective Conjugate Silylation: Diastereodivergence Controlled by the Silicon Nucleophile ACS Catalysis 11(6) (2021) 3516-3522 Space group: P 1 21 1 Cell volume: 1089.17 Cell parameters: 10.4612; 6.7009; 15.9349; 90; 102.822; 90; |
| COD ID: 4518544 | |
| CIF file | Formula: - C22 H24 Br N O3 S - Comments: 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 11(6) (2021) 3679-3686 Space group: C 1 2/c 1 Cell volume: 4135.28 Cell parameters: 22.5321; 8.3857; 22.2758; 90; 100.736; 90; |
| COD ID: 4518545 | |
| CIF file | Formula: - C20 H20 Br N O3 S - Comments: 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 11(6) (2021) 3679-3686 Space group: P 21 21 21 Cell volume: 3870.92 Cell parameters: 8.3815; 16.1769; 28.5494; 90; 90; 90; |
| COD ID: 4518546 | |
| CIF file | Formula: - C17 H13 N O - Comments: 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 11(6) (2021) 3679-3686 Space group: C 2 e b Cell volume: 2345.7 Cell parameters: 6.923; 21.697; 15.616; 90; 90; 90; |
| COD ID: 4518548 | |
| CIF file | Formula: - C32 H33 N O5 S2 - Comments: Zhang, Yuanyuan; Liang, Yaoyu; Zhao, Xiaodan Chiral Selenide-Catalyzed, Highly Regio- and Enantioselective Intermolecular Thioarylation of Alkenes with Phenols ACS Catalysis 11(6) (2021) 3755-3761 Space group: P 21 21 21 Cell volume: 2839.7 Cell parameters: 9.0104; 16.6022; 18.9828; 90; 90; 90; |
| COD ID: 4518561 | |
| CIF file | Formula: - C38 H61 Al N2 O3 - Comments: 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 11(7) (2021) 4084-4093 Space group: P 1 21 1 Cell volume: 1865.75 Cell parameters: 10.5311; 12.1035; 14.8941; 90; 100.65; 90; |
| COD ID: 4518562 | |
| CIF file | Formula: - C87 H124 Al2 N4 O6 - Comments: 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 11(7) (2021) 4084-4093 Space group: P 1 21 1 Cell volume: 4233.16 Cell parameters: 14.2817; 19.6139; 16.3139; 90; 112.131; 90; |
| COD ID: 4518563 | |
| CIF file | Formula: - C83.25 H120.5 Al2 Cl2.5 N4 O6 - Comments: 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 11(7) (2021) 4084-4093 Space group: P 1 21/n 1 Cell volume: 4187.3 Cell parameters: 14.7009; 19.8009; 15.5738; 90; 112.532; 90; |
| COD ID: 4518564 | |
| CIF file | Formula: - C22 H30 Cl2 N3 Ni P - Comments: 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 11(7) (2021) 4071-4076 Space group: P 1 21/c 1 Cell volume: 2307.2 Cell parameters: 11.7864; 12.0598; 16.8359; 90; 105.394; 90; |
| COD ID: 4518565 | |
| CIF file | Formula: - C25 H32 Cl0 N3 Ni O P - Comments: 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 11(7) (2021) 4071-4076 Space group: P -1 Cell volume: 2380.6 Cell parameters: 8.853; 16.369; 18.452; 105.791; 100.542; 105.669; |
| COD ID: 4518566 | |
| CIF file | Formula: - C18 H25 Cl N3 Ni P - Comments: 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 11(7) (2021) 4071-4076 Space group: P 1 21/c 1 Cell volume: 1860.9 Cell parameters: 16.1382; 8.1442; 16.0627; 90; 118.179; 90; |
| COD ID: 4518567 | |
| CIF file | Formula: - C21 H30 Cl2 N3 Ni O P - Comments: 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 11(7) (2021) 4071-4076 Space group: P 1 21/n 1 Cell volume: 2279.8 Cell parameters: 14.2865; 11.363; 14.9046; 90; 109.571; 90; |
| COD ID: 4518568 | |
| CIF file | Formula: - C18 H26 Cl2 N3 Ni P - Comments: 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 11(7) (2021) 4071-4076 Space group: P 1 21/c 1 Cell volume: 2023.8 Cell parameters: 12.1286; 12.4385; 13.4746; 90; 95.4; 90; |
| COD ID: 4518571 | |
| CIF file | Formula: - C27 H30 N4 O3 - Comments: 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 11(7) (2021) 4263-4270 Space group: P -1 Cell volume: 1246.4 Cell parameters: 5.836; 10.2615; 21.051; 82.853; 85.165; 89.89; |
| COD ID: 4518572 | |
| CIF file | Formula: - C25 H27 N3 O3 - Comments: 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 11(7) (2021) 4263-4270 Space group: C 1 2/c 1 Cell volume: 4516.3 Cell parameters: 31.7124; 6.29804; 22.6491; 90; 93.248; 90; |
| COD ID: 4518573 | |
| CIF file | Formula: - C25 H28 N2 O4 - Comments: 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 11(7) (2021) 4263-4270 Space group: P 1 21/n 1 Cell volume: 2245.8 Cell parameters: 6.407; 11.0997; 31.594; 90; 91.726; 90; |
| COD ID: 4518597 | |
| CIF file | Formula: - C24 H19 N3 Ni O2 - Comments: 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 11(8) (2021) 4644-4649 Space group: P -1 Cell volume: 946.96 Cell parameters: 8.8213; 10.1609; 11.288; 104.489; 103.879; 91.518; |
| COD ID: 4518602 | |
| CIF file | Formula: - C44 H56 N6 O - Comments: 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 11(8) (2021) 4670-4681 Space group: P 21 21 21 Cell volume: 3970.2 Cell parameters: 11.3688; 15.8213; 22.0726; 90; 90; 90; |
| COD ID: 4518675 | |
| CIF file | Formula: - C26 H29 N O - Comments: 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 11(8) (2021) 4606-4612 Space group: P -1 Cell volume: 4162.1 Cell parameters: 13.737; 14.478; 22.319; 79.86; 77.01; 76.01; |
| COD ID: 4518676 | |
| CIF file | Formula: - C22 H28 F3 N O4 Si - Comments: 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 11(8) (2021) 4712-4721 Space group: P 21 21 21 Cell volume: 2380.13 Cell parameters: 8.38863; 11.45356; 24.7725; 90; 90; 90; |
| COD ID: 4518677 | |
| CIF file | Formula: - C26 H38 Br N O4 Si - Comments: 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 11(8) (2021) 4712-4721 Space group: P 21 21 21 Cell volume: 5579.96 Cell parameters: 11.3628; 14.9417; 32.8659; 90; 90; 90; |
| COD ID: 4518678 | |
| CIF file | Formula: - C22 H23 Cl F N - Comments: 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 11(8) (2021) 4862-4869 Space group: P 1 21/n 1 Cell volume: 1913.97 Cell parameters: 14.5798; 9.6574; 15.0886; 90; 115.724; 90; |
| COD ID: 4518679 | |
| CIF file | Formula: - C22 H24 Cl N - Comments: 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 11(8) (2021) 4862-4869 Space group: P 21 21 21 Cell volume: 1954.05 Cell parameters: 6.4598; 13.9948; 21.6147; 90; 90; 90; |
| COD ID: 4518680 | |
| CIF file | Formula: - C21 H20 Cl N - Comments: 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 11(8) (2021) 4862-4869 Space group: P 1 21/c 1 Cell volume: 1665.19 Cell parameters: 19.1956; 5.6975; 16.7242; 90; 114.44; 90; |
| COD ID: 4518688 | |
| CIF file | Formula: - C17 H23 Br O2 - Comments: 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 11(10) (2021) 6121-6127 Space group: P 21 21 21 Cell volume: 1606.9 Cell parameters: 5.9557; 10.9058; 24.74; 90; 90; 90; |
| COD ID: 4518697 | |
| CIF file | Formula: - C20 H22 F3 N3 O4 - Comments: Guo, Fangfang; Chen, Jiean; Huang, Yong A Bifunctional N-Heterocyclic Carbene as a Noncovalent Organocatalyst for Enantioselective Aza-Michael Addition Reactions ACS Catalysis 11(10) (2021) 6316-6324 Space group: P 21 21 21 Cell volume: 2072.88 Cell parameters: 9.14307; 11.5592; 19.6135; 90; 90; 90; |
| COD ID: 4518698 | |
| CIF file | Formula: - C24 H25 Cl F6 N5 O0.5 S - Comments: Guo, Fangfang; Chen, Jiean; Huang, Yong A Bifunctional N-Heterocyclic Carbene as a Noncovalent Organocatalyst for Enantioselective Aza-Michael Addition Reactions ACS Catalysis 11(10) (2021) 6316-6324 Space group: P 1 21 1 Cell volume: 2616.15 Cell parameters: 17.3627; 7.45954; 20.2256; 90; 92.932; 90; |
| COD ID: 4518777 | |
| CIF file | Formula: - C151 H130 Cl5 Ir0.5 N7.5 O40 Zr12 - Comments: 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 11(12) (2021) 7241-7248 Space group: F m -3 m Cell volume: 81402 Cell parameters: 43.339; 43.339; 43.339; 90; 90; 90; |
| COD ID: 4518787 | |
| CIF file | Formula: - C18 H14 B F2 N - Comments: 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 11(12) (2021) 7339-7349 Space group: P 1 21 1 Cell volume: 1445.1 Cell parameters: 13.347; 7.9177; 13.683; 90; 91.98; 90; |
| COD ID: 4518788 | |
| CIF file | Formula: - C24 H26 B N O2 - Comments: 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 11(12) (2021) 7339-7349 Space group: P -1 Cell volume: 986.8 Cell parameters: 7.791; 10.316; 13.717; 72.903; 78.602; 70.427; |
| COD ID: 4518789 | |
| CIF file | Formula: - C20 H18 Cl N O2 - Comments: 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 11(12) (2021) 7339-7349 Space group: P 21 21 21 Cell volume: 1672.88 Cell parameters: 8.2846; 11.5452; 17.4901; 90; 90; 90; |
| COD ID: 4518790 | |
| CIF file | Formula: - C11 H11 Cl N O2 - Comments: 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 11(12) (2021) 7339-7349 Space group: P 1 21/c 1 Cell volume: 1004.2 Cell parameters: 7.738; 11.313; 11.517; 90; 95.132; 90; |
| COD ID: 4518791 | |
| CIF file | Formula: - C54 H60 P4 Re2 - Comments: 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 11(12) (2021) 7394-7400 Space group: P -1 Cell volume: 2364.26 Cell parameters: 9.3814; 12.2395; 21.7629; 85.937; 85.118; 71.918; |
| COD ID: 4518792 | |
| CIF file | Formula: - C45 H67 B K O8 P2 Re - Comments: 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 11(12) (2021) 7394-7400 Space group: P 1 21/n 1 Cell volume: 5411.73 Cell parameters: 12.9998; 29.3027; 14.5738; 90; 102.888; 90; |
| COD ID: 4518793 | |
| CIF file | Formula: - C40 H52 B O2 P2 Re - Comments: 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 11(12) (2021) 7394-7400 Space group: P b c a Cell volume: 7516.7 Cell parameters: 11.5282; 24.9634; 26.1194; 90; 90; 90; |
| COD ID: 4518810 | |
| CIF file | Formula: - C19 H13 Cl5 N4 Zn - Comments: 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 11(12) (2021) 7498-7512 Space group: P -1 Cell volume: 1013.9 Cell parameters: 9.167; 9.525; 11.969; 79.705; 87.577; 80.445; |
| COD ID: 4518811 | |
| CIF file | Formula: - C40 H54 N3 O Rh - Comments: 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 11(12) (2021) 7553-7567 Space group: P 1 21/c 1 Cell volume: 3590 Cell parameters: 11.2672; 10.7013; 29.775; 90; 90.307; 90; |
| COD ID: 4518820 | |
| CIF file | Formula: - C17 H18 O3 - Comments: 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 11(13) (2021) 8015-8022 Space group: P 21 21 21 Cell volume: 1348.4 Cell parameters: 6.5335; 9.7082; 21.2586; 90; 90; 90; |
| COD ID: 4518821 | |
| CIF file | Formula: - C13 H18 O3 - Comments: 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 11(13) (2021) 8015-8022 Space group: P 21 21 21 Cell volume: 1129.64 Cell parameters: 5.5908; 12.4361; 16.2473; 90; 90; 90; |
| COD ID: 4518822 | |
| CIF file | Formula: - C15 H22 O4 - Comments: 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 11(13) (2021) 8015-8022 Space group: P 1 21 1 Cell volume: 727.17 Cell parameters: 9.7823; 6.7565; 11.0023; 90; 90.42; 90; |
| COD ID: 4518823 | |
| CIF file | Formula: - C17 H20 O3 - Comments: 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 11(13) (2021) 8015-8022 Space group: P 21 21 21 Cell volume: 1416.26 Cell parameters: 5.5111; 13.0823; 19.6436; 90; 90; 90; |
| COD ID: 4518824 | |
| CIF file | Formula: - C15 H22 O4 - Comments: 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 11(13) (2021) 8015-8022 Space group: P 21 21 21 Cell volume: 1522.7 Cell parameters: 6.5561; 10.1014; 22.992; 90; 90; 90; |
| COD ID: 4518825 | |
| CIF file | Formula: - C17 H18 O3 - Comments: 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 11(13) (2021) 8015-8022 Space group: P 1 21 1 Cell volume: 691.64 Cell parameters: 7.7829; 6.2561; 14.2118; 90; 91.797; 90; |
| COD ID: 4518826 | |
| CIF file | Formula: - C16 H19 Br Mn N3 O3 - Comments: 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 11(13) (2021) 8033-8041 Space group: P 65 Cell volume: 5565.2 Cell parameters: 10.2602; 10.2602; 61.043; 90; 90; 120; |
| COD ID: 4518827 | |
| CIF file | Formula: - C21 H19 Br Mn N3 O3 - Comments: 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 11(13) (2021) 8033-8041 Space group: P 21 21 21 Cell volume: 4963.1 Cell parameters: 13.1249; 18.8575; 20.0527; 90; 90; 90; |
| COD ID: 4518828 | |
| CIF file | Formula: - C55 H61 Hf N O2 - Comments: 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 11(13) (2021) 8079-8086 Space group: C 1 2/c 1 Cell volume: 9413.5 Cell parameters: 29.0406; 16.9643; 19.5677; 90; 102.448; 90; |
| COD ID: 4518829 | |
| CIF file | Formula: - C22 H29 Cl N4 O2 - Comments: 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 11(13) (2021) 8183-8196 Space group: P 21 21 21 Cell volume: 2146.59 Cell parameters: 10.9084; 11.7353; 16.7685; 90; 90; 90; |
| COD ID: 4518830 | |
| CIF file | Formula: - C23 H24 Cl N3 O3 - Comments: 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 11(13) (2021) 8183-8196 Space group: P 43 Cell volume: 2251.22 Cell parameters: 19.2893; 19.2893; 6.0504; 90; 90; 90; |
| COD ID: 4518831 | |
| CIF file | Formula: - C55 H65 Cl3 N8 O5 - Comments: 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 11(13) (2021) 8183-8196 Space group: P 21 21 21 Cell volume: 5217.26 Cell parameters: 14.6667; 15.3682; 23.1466; 90; 90; 90; |
| COD ID: 4518848 | |
| CIF file | Formula: - C35 H35 Cl3 F3 O10 P3 Pt S - Comments: 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 11(14) (2021) 8716-8726 Space group: P -1 Cell volume: 4418.7 Cell parameters: 17.1276; 17.7163; 17.8919; 112.381; 115.776; 90.585; |
| COD ID: 4518849 | |
| CIF file | Formula: - C38 H35 F6 Fe O7 P3 Pt S2 - Comments: 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 11(14) (2021) 8716-8726 Space group: P -1 Cell volume: 2016.9 Cell parameters: 9.3276; 10.4475; 21.4237; 98.845; 100.326; 94.635; |
| COD ID: 4518850 | |
| CIF file | Formula: - C55.5 H51 F6 Fe I N O7 P3 Pt S2 - Comments: 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 11(14) (2021) 8716-8726 Space group: P -1 Cell volume: 2807.1 Cell parameters: 12.0101; 13.0185; 20.5982; 89.708; 73.604; 66.285; |
| COD ID: 4518851 | |
| CIF file | Formula: - C34 H32 Cl4 F3 O4 P3 Pt S - Comments: 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 11(14) (2021) 8716-8726 Space group: P 1 21/n 1 Cell volume: 3855.6 Cell parameters: 14.8139; 9.5761; 27.8457; 90; 102.566; 90; |
| COD ID: 4518852 | |
| CIF file | Formula: - C38 H35 Cl3 F3 O4 P3 Pt S - Comments: 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 11(14) (2021) 8716-8726 Space group: P -1 Cell volume: 4034.6 Cell parameters: 11.1267; 13.0225; 28.766; 102.068; 96.51; 93.444; |
| COD ID: 4518856 | |
| CIF file | Formula: - C56 H72 Cl2 F6 N2 O6 P2 Pd2 S2 - Comments: 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 11(13) (2021) 7820-7827 Space group: P -1 Cell volume: 1552.8 Cell parameters: 10.4985; 11.4124; 13.4302; 79.15; 89.525; 79.395; |
| COD ID: 4518857 | |
| CIF file | Formula: - C73 H88 B2 N4 Na O5 Rh S2 - Comments: 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 11(13) (2021) 8155-8164 Space group: P 1 21/c 1 Cell volume: 6561.7 Cell parameters: 18.9569; 14.9929; 23.8375; 90; 104.419; 90; |
| COD ID: 4518858 | |
| CIF file | Formula: - C9 H19 B F4 N O Rh S2 - Comments: 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 11(13) (2021) 8155-8164 Space group: P -1 Cell volume: 752.35 Cell parameters: 8.2674; 9.8268; 10.9563; 116.565; 96.392; 103.022; |
| COD ID: 4518859 | |
| CIF file | Formula: - C25 H43 B F4 Mn N O2 P2 - Comments: 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 11(13) (2021) 8358-8369 Space group: P n a 21 Cell volume: 2839.8 Cell parameters: 16.3353; 14.4426; 12.0371; 90; 90; 90; |
| COD ID: 4518860 | |
| CIF file | Formula: - C30 H50 Mn N O5 P2 - Comments: 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 11(13) (2021) 8358-8369 Space group: P 1 21/c 1 Cell volume: 3119.3 Cell parameters: 17.7198; 12.1114; 15.6986; 90; 112.202; 90; |
| COD ID: 4518861 | |
| CIF file | Formula: - C32 H54 K Mn N O5.5 P2 - Comments: 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 11(13) (2021) 8358-8369 Space group: P -1 Cell volume: 3666 Cell parameters: 14.762; 15.414; 19.157; 104.574; 100.59; 113.484; |
| COD ID: 4518862 | |
| CIF file | Formula: - C58 H105 K Mn N O15 P2 - Comments: 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 11(13) (2021) 8358-8369 Space group: C 1 2/c 1 Cell volume: 13168 Cell parameters: 40.52; 11.0361; 29.824; 90; 99.137; 90; |
| COD ID: 4518934 | |
| CIF file | Formula: - C19 H15 Cl F3 N O - Comments: 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 11(16) (2021) 10198-10207 Space group: P 21 21 21 Cell volume: 1685.61 Cell parameters: 10.5492; 10.6045; 15.0677; 90; 90; 90; |
| COD ID: 4518935 | |
| CIF file | Formula: - C28 H24 Cl F2 N O3 - Comments: 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 11(16) (2021) 10198-10207 Space group: P 1 21 1 Cell volume: 1229.94 Cell parameters: 8.6182; 7.3866; 19.3609; 90; 93.692; 90; |
| COD ID: 4518936 | |
| CIF file | Formula: - C39 H42 N4 O4 P2 Rh2 - Comments: 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 11(16) (2021) 10190-10197 Space group: P 1 21/n 1 Cell volume: 3845.2 Cell parameters: 18.358; 10.6384; 20.055; 90; 100.967; 90; |
| COD ID: 4518937 | |
| CIF file | Formula: - C34 H39 O7 P3 Rh2 - Comments: 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 11(16) (2021) 10190-10197 Space group: P n m a Cell volume: 3455.76 Cell parameters: 9.8701; 21.0572; 16.6273; 90; 90; 90; |
| COD ID: 4518945 | |
| CIF file | Formula: - C23 H31 N O - Comments: Zhou, Fang; Zhu, Shaolin Catalytic Asymmetric Hydroalkylation of α,β-Unsaturated Amides Enabled by Regio-Reversed and Enantiodifferentiating syn-Hydronickellation ACS Catalysis 11(14) (2021) 8766-8773 Space group: P 21 21 21 Cell volume: 1973.72 Cell parameters: 5.067; 18.8912; 20.6194; 90; 90; 90; |
| COD ID: 4518946 | |
| CIF file | Formula: - C20 H25 N O - Comments: Zhou, Fang; Zhu, Shaolin Catalytic Asymmetric Hydroalkylation of α,β-Unsaturated Amides Enabled by Regio-Reversed and Enantiodifferentiating syn-Hydronickellation ACS Catalysis 11(14) (2021) 8766-8773 Space group: P 32 Cell volume: 1277.4 Cell parameters: 10.1942; 10.1942; 14.1934; 90; 90; 120; |
| COD ID: 4518975 | |
| CIF file | Formula: - C60 H64 Cl2 N4 P2 Pd2 - Comments: 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 11(16) (2021) 10394-10404 Space group: P -1 Cell volume: 1359.5 Cell parameters: 9.487; 10.576; 15.286; 96.2; 91.16; 116.58; |
| COD ID: 4518976 | |
| CIF file | Formula: - C54 H57 Cl6 N4 P2 Pd3 - Comments: 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 11(16) (2021) 10394-10404 Space group: C 1 2/c 1 Cell volume: 13087 Cell parameters: 38.6949; 17.3828; 19.7361; 90; 99.654; 90; |
| COD ID: 4518977 | |
| CIF file | Formula: - C62.46 H62.16 Ag0.16 F9.46 I N4 O10.62 P2 Pd2 S3.16 - Comments: 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 11(16) (2021) 10394-10404 Space group: P -1 Cell volume: 3649.7 Cell parameters: 14.761; 15.803; 17.805; 111.215; 104.832; 96.15; |
| COD ID: 4518978 | |
| CIF file | Formula: - C29 H31 Cl8 N2 P Pd - Comments: 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 11(16) (2021) 10394-10404 Space group: P -1 Cell volume: 1670.63 Cell parameters: 10.9294; 12.06; 14.6295; 70.649; 71.301; 71.001; |
| COD ID: 4518979 | |
| CIF file | Formula: - C20 H17 N O2 - Comments: Yanagimoto, Aika; Uwabe, Yota; Wu, Qikun; Muto, Kei; Yamaguchi, Junichiro Convergent Azaspirocyclization of Bromoarenes with N-Tosylhydrazones by a Palladium Catalyst ACS Catalysis 11(16) (2021) 10429-10435 Space group: P b c a Cell volume: 3229.8 Cell parameters: 11.5675; 15.2858; 18.2662; 90; 90; 90; |
| COD ID: 4518980 | |
| CIF file | Formula: - C32 H46 F Mn N2 O2 P2 - Comments: 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 11(16) (2021) 10239-10245 Space group: P 1 21/c 1 Cell volume: 3146.91 Cell parameters: 12.6518; 15.3285; 16.7761; 90; 104.703; 90; |
| COD ID: 4518981 | |
| CIF file | Formula: - C32 H47 Mn N2 O2 P2 - Comments: 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 11(16) (2021) 10239-10245 Space group: P 1 21/n 1 Cell volume: 3460.14 Cell parameters: 12.92524; 16.7518; 16.3352; 90; 101.96; 90; |
| COD ID: 4518982 | |
| CIF file | Formula: - C36 H53 Cl2 F3 Mn N2 O5 P2 S - Comments: 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 11(16) (2021) 10239-10245 Space group: P 21 21 21 Cell volume: 4154.69 Cell parameters: 12.1759; 13.3287; 25.6006; 90; 90; 90; |
| COD ID: 4518983 | |
| CIF file | Formula: - C48 H40 N4 Ni - Comments: 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 11(16) (2021) 10223-10227 Space group: P 1 21/c 1 Cell volume: 3605 Cell parameters: 18.259; 17.663; 11.5624; 90; 104.816; 90; |
| COD ID: 4518984 | |
| CIF file | Formula: - C32 H40 N4 Ni - Comments: 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 11(16) (2021) 10223-10227 Space group: P 1 21/n 1 Cell volume: 2802.4 Cell parameters: 17.2651; 8.0978; 20.5663; 90; 102.933; 90; |
| COD ID: 4518985 | |
| CIF file | Formula: - C19 H42 Fe N2 O2 P2 - Comments: 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 11(16) (2021) 10614-10624 Space group: P 1 21/n 1 Cell volume: 2676.23 Cell parameters: 8.1133; 10.8783; 30.3409; 90; 91.993; 90; |
| COD ID: 4518986 | |
| CIF file | Formula: - C25 H44 Fe N2 O2 P2 - Comments: 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 11(16) (2021) 10614-10624 Space group: P -1 Cell volume: 1352.27 Cell parameters: 8.1307; 13.0711; 13.4922; 74.165; 79.061; 83.962; |
| COD ID: 4518987 | |
| CIF file | Formula: - C24 H48 Fe N2 O2 P2 - Comments: 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 11(16) (2021) 10614-10624 Space group: P -1 Cell volume: 2789.23 Cell parameters: 11.3294; 14.7816; 18.2519; 110.842; 92.5202; 100.479; |
| COD ID: 4518988 | |
| CIF file | Formula: - C24 H45 Fe N O P2 S - Comments: 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 11(16) (2021) 10614-10624 Space group: C m c e Cell volume: 5320 Cell parameters: 19.181; 12.4038; 22.3606; 90; 90; 90; |
| COD ID: 4518989 | |
| CIF file | Formula: - C14 H11 Mo N3 O4 - Comments: 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 11(16) (2021) 10377-10382 Space group: P -1 Cell volume: 735.69 Cell parameters: 8.4036; 8.9796; 11.167; 79.028; 81.338; 63.09; |
| COD ID: 4518990 | |
| CIF file | Formula: - C13 H12 Mo N4 O4 - Comments: 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 11(16) (2021) 10377-10382 Space group: P b c a Cell volume: 2983.19 Cell parameters: 13.3874; 8.8532; 25.1701; 90; 90; 90; |
| COD ID: 4518991 | |
| CIF file | Formula: - C17 H20 Mo N4 O4 - Comments: 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 11(16) (2021) 10377-10382 Space group: P 1 21/n 1 Cell volume: 1927.6 Cell parameters: 7.898; 14.1645; 17.4273; 90; 98.613; 90; |
| COD ID: 4518992 | |
| CIF file | Formula: - C20 H20 Br2 N2 Ni - Comments: Kolluru, Srinivas; Singh, Manvendra; Gaskins, Bryce; Boskovic, Zarko Nickel-Catalyzed Annulations of ortho-Haloarylimines ACS Catalysis 11(16) (2021) 10351-10361 Space group: P -1 Cell volume: 953.26 Cell parameters: 9.0787; 9.6059; 11.9391; 85.356; 80.16; 68.34; |
| COD ID: 4518993 | |
| CIF file | Formula: - C30 H22 Cl N O0.61 P Pd - Comments: Kolluru, Srinivas; Singh, Manvendra; Gaskins, Bryce; Boskovic, Zarko Nickel-Catalyzed Annulations of ortho-Haloarylimines ACS Catalysis 11(16) (2021) 10351-10361 Space group: P 1 21/c 1 Cell volume: 2582.39 Cell parameters: 16.5425; 9.582; 17.3269; 90; 109.906; 90; |
| COD ID: 4518994 | |
| CIF file | Formula: - C20 H20 Cl2 N2 Ni - Comments: Kolluru, Srinivas; Singh, Manvendra; Gaskins, Bryce; Boskovic, Zarko Nickel-Catalyzed Annulations of ortho-Haloarylimines ACS Catalysis 11(16) (2021) 10351-10361 Space group: P -1 Cell volume: 917.58 Cell parameters: 8.9273; 9.4515; 11.9381; 86.117; 80.324; 67.532; |
| COD ID: 4518995 | |
| CIF file | Formula: - C23 H24 Br N2 Ni - Comments: Kolluru, Srinivas; Singh, Manvendra; Gaskins, Bryce; Boskovic, Zarko Nickel-Catalyzed Annulations of ortho-Haloarylimines ACS Catalysis 11(16) (2021) 10351-10361 Space group: P -1 Cell volume: 1014.42 Cell parameters: 8.0773; 9.9718; 13.0748; 105.435; 91.184; 91.402; |
| COD ID: 4518996 | |
| CIF file | Formula: - C20 H20 Br2 N2 Ni - Comments: Kolluru, Srinivas; Singh, Manvendra; Gaskins, Bryce; Boskovic, Zarko Nickel-Catalyzed Annulations of ortho-Haloarylimines ACS Catalysis 11(16) (2021) 10351-10361 Space group: P 1 21/n 1 Cell volume: 1976.41 Cell parameters: 8.0595; 30.6742; 8.6369; 90; 112.236; 90; |
| COD ID: 4518997 | |
| CIF file | Formula: - C44 H60 I4 N2 Ni O2 - Comments: 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 11(16) (2021) 10208-10222 Space group: C 1 2/c 1 Cell volume: 4696 Cell parameters: 27.33; 9.978; 17.222; 90; 90.618; 90; |
| COD ID: 4518998 | |
| CIF file | Formula: - C50 H80 I2 N2 Ni2 O6.5 - Comments: 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 11(16) (2021) 10208-10222 Space group: P -1 Cell volume: 2598.6 Cell parameters: 12.7775; 14.7475; 15.2774; 73.188; 86.253; 70.648; |
| COD ID: 4518999 | |
| CIF file | Formula: - C64 H82 I2 N6 Ni2 O2 - Comments: 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 11(16) (2021) 10208-10222 Space group: P c c n Cell volume: 6237.7 Cell parameters: 14.7031; 17.8228; 23.8035; 90; 90; 90; |
| COD ID: 4519000 | |
| CIF file | Formula: - C34 H55 I N Ni O P - Comments: 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 11(16) (2021) 10208-10222 Space group: P -1 Cell volume: 1632.8 Cell parameters: 11.0239; 11.4716; 13.6693; 81.983; 78.073; 75.856; |
| COD ID: 4519001 | |
| CIF file | Formula: - C36 H66 I Ni P2 - Comments: 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 11(16) (2021) 10208-10222 Space group: R -3 c :H Cell volume: 17174 Cell parameters: 29.259; 29.259; 23.165; 90; 90; 120; |
| COD ID: 4519002 | |
| CIF file | Formula: - C16 H24 I2 Ni2 - Comments: 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 11(16) (2021) 10208-10222 Space group: P 1 21/n 1 Cell volume: 864.7 Cell parameters: 7.4617; 10.686; 10.939; 90; 97.511; 90; |
| COD ID: 4519059 | |
| CIF file | Formula: - C35 H56 Cl2 P2 Pd - Comments: 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 11(19) (2021) 12123-12132 Space group: P 1 21/c 1 Cell volume: 3573.5 Cell parameters: 11.7183; 14.6907; 21.1331; 90; 100.812; 90; |
| COD ID: 4519060 | |
| CIF file | Formula: - C20 H18 Br N O3 - Comments: 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 11(19) (2021) 11843-11848 Space group: P 21 21 21 Cell volume: 1881.65 Cell parameters: 8.1288; 13.7875; 16.7891; 90; 90; 90; |
| COD ID: 4519061 | |
| CIF file | Formula: - C21 H26 Cl2 N3 Rh - Comments: 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 11(19) (2021) 12375-12383 Space group: P -1 Cell volume: 1036.44 Cell parameters: 7.1752; 8.6053; 18.3209; 83.552; 89.982; 67.377; |
| COD ID: 4519062 | |
| CIF file | Formula: - C31 H27 N3 Si - Comments: 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 11(19) (2021) 12375-12383 Space group: P -1 Cell volume: 1226.4 Cell parameters: 9.4517; 10.586; 13.7057; 109.919; 90.438; 106.701; |
| COD ID: 4519063 | |
| CIF file | Formula: - C28 H26 N2 O2 - Comments: Herraiz, Ana G.; Cramer, Nicolai Cobalt(III)-Catalyzed Diastereo- and Enantioselective Three-Component C–H Functionalization ACS Catalysis 11(19) (2021) 11938-11944 Space group: P 1 21 1 Cell volume: 1125.39 Cell parameters: 8.18927; 12.80314; 10.83576; 90; 97.8768; 90; |
| COD ID: 4519064 | |
| CIF file | Formula: - C73 H71 Cl3 Co2 I4 O4 - Comments: Herraiz, Ana G.; Cramer, Nicolai Cobalt(III)-Catalyzed Diastereo- and Enantioselective Three-Component C–H Functionalization ACS Catalysis 11(19) (2021) 11938-11944 Space group: P 21 21 21 Cell volume: 6625.07 Cell parameters: 10.41118; 17.39267; 36.5868; 90; 90; 90; |
| COD ID: 4519065 | |
| CIF file | Formula: - C44 H34 N4 O2 - Comments: 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 11(19) (2021) 12384-12393 Space group: P 1 21/c 1 Cell volume: 3382.6 Cell parameters: 15.6752; 13.0378; 17.6651; 90; 110.456; 90; |
| COD ID: 4519066 | |
| CIF file | Formula: - C21 H20 N2 O - Comments: 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 11(19) (2021) 12384-12393 Space group: P 1 21/c 1 Cell volume: 3315.8 Cell parameters: 10.5707; 14.0848; 22.353; 90; 94.915; 90; |
| COD ID: 4519067 | |
| CIF file | Formula: - C18 H16 N2 O - Comments: 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 11(19) (2021) 12384-12393 Space group: P -1 Cell volume: 1437.4 Cell parameters: 10.1004; 10.721; 13.77; 89.487; 78.138; 80.183; |
| COD ID: 4519068 | |
| CIF file | Formula: - C14 H18 N2 Ni O6 - Comments: 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 11(19) (2021) 12384-12393 Space group: C 1 2/c 1 Cell volume: 1564.58 Cell parameters: 15.2287; 12.7164; 8.0895; 90; 92.882; 90; |
| COD ID: 4519069 | |
| CIF file | Formula: - C36 H30 N4 O2 - Comments: 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 11(19) (2021) 12384-12393 Space group: P 1 21/c 1 Cell volume: 2824 Cell parameters: 16.7476; 9.0897; 18.6802; 90; 96.74; 90; |
| COD ID: 4519070 | |
| CIF file | Formula: - C31 H31 N O6.5 S - Comments: 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 11(19) (2021) 12133-12145 Space group: P 21 21 21 Cell volume: 2925.07 Cell parameters: 10.5571; 12.9667; 21.3679; 90; 90; 90; |
| COD ID: 4519098 | |
| CIF file | Formula: - C32 H35 N O4 - Comments: 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 11(20) (2021) 12815-12820 Space group: P -1 Cell volume: 2684 Cell parameters: 10.956; 11.975; 22.501; 86.546; 79.404; 67.694; |
| COD ID: 4519099 | |
| CIF file | Formula: - C24 H36 B N O4 - Comments: 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 11(20) (2021) 12815-12820 Space group: P -1 Cell volume: 1171.31 Cell parameters: 9.9066; 11.0766; 11.6203; 112.849; 92.575; 92.484; |
| COD ID: 4519100 | |
| CIF file | Formula: - C31 H34 Ge - Comments: 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 11(20) (2021) 12777-12784 Space group: C 1 2/c 1 Cell volume: 4951.1 Cell parameters: 23.3649; 11.1865; 19.019; 90; 95.1336; 90; |
| COD ID: 4519101 | |
| CIF file | Formula: - C30 H55 Co P2 - Comments: 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 11(20) (2021) 12777-12784 Space group: P -1 Cell volume: 1451.7 Cell parameters: 9.1738; 10.045; 17.518; 90.845; 96.983; 114.712; |
| COD ID: 4519145 | |
| CIF file | Formula: - C27 H30 B10 N O P Pd - Comments: 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 11(22) (2021) 14047-14057 Space group: P 1 21/n 1 Cell volume: 2956.7 Cell parameters: 9.0642; 13.1695; 24.86; 90; 94.902; 90; |
| COD ID: 4519146 | |
| CIF file | Formula: - C11 H18 B10 O3 - Comments: 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 11(22) (2021) 14047-14057 Space group: P 1 21/c 1 Cell volume: 3291.2 Cell parameters: 22.9926; 6.5798; 24.1534; 90; 115.752; 90; |
| COD ID: 4519147 | |
| CIF file | Formula: - C19 H24 B10 O5 - Comments: 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 11(22) (2021) 14047-14057 Space group: P b c m Cell volume: 2354.7 Cell parameters: 6.8374; 18.2868; 18.8324; 90; 90; 90; |
| COD ID: 4519148 | |
| CIF file | Formula: - C21 H21 B10 F3 O - Comments: 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 11(22) (2021) 14047-14057 Space group: P 1 21/c 1 Cell volume: 2248.9 Cell parameters: 14.2655; 19.45; 8.314; 90; 102.863; 90; |
| COD ID: 4519149 | |
| CIF file | Formula: - C35 H36 B10 O9 - Comments: 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 11(22) (2021) 14047-14057 Space group: P 1 21/c 1 Cell volume: 3586 Cell parameters: 22.445; 8.524; 20.897; 90; 116.232; 90; |
| COD ID: 4519150 | |
| CIF file | Formula: - C46 H47 B10 Cl2 N O12 - Comments: 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 11(22) (2021) 14047-14057 Space group: P -1 Cell volume: 2423.3 Cell parameters: 12.9702; 13.498; 16.6031; 70.165; 71.761; 64.698; |
| COD ID: 4519151 | |
| CIF file | Formula: - C43 H42 B10 N O5 P Pd - Comments: 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 11(22) (2021) 14047-14057 Space group: P 1 21/c 1 Cell volume: 6546.3 Cell parameters: 15.475; 25.5038; 16.9662; 90; 102.143; 90; |
| COD ID: 4519152 | |
| CIF file | Formula: - C43 H60 B10 O - Comments: 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 11(22) (2021) 14047-14057 Space group: C 1 2/c 1 Cell volume: 8470 Cell parameters: 30.248; 12.321; 25.333; 90; 116.221; 90; |
| COD ID: 4519153 | |
| CIF file | Formula: - C31 H36 B10 O - Comments: 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 11(22) (2021) 14047-14057 Space group: C 1 2/c 1 Cell volume: 6070.7 Cell parameters: 24.4616; 13.4493; 18.7508; 90; 100.232; 90; |
| COD ID: 4519154 | |
| CIF file | Formula: - C33 H29 B10 F4 N O - Comments: 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 11(22) (2021) 14047-14057 Space group: P -1 Cell volume: 3238 Cell parameters: 10.804; 11.906; 25.209; 90.09; 87.216; 88.784; |
| COD ID: 4519155 | |
| CIF file | Formula: - C37 H39 B10 N O3 S - Comments: 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 11(22) (2021) 14047-14057 Space group: P 1 21/c 1 Cell volume: 4106.9 Cell parameters: 23.4028; 10.4909; 17.9732; 90; 111.455; 90; |
| COD ID: 4519156 | |
| CIF file | Formula: - C45 H55 B10 N O2 - Comments: 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 11(22) (2021) 14047-14057 Space group: P 2 2 2 Cell volume: 9761 Cell parameters: 20.541; 21.748; 21.85; 90; 90; 90; |
| COD ID: 4519157 | |
| CIF file | Formula: - C54 H73 B10 N - Comments: 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 11(22) (2021) 14047-14057 Space group: P 1 21/n 1 Cell volume: 6018 Cell parameters: 12.427; 37.88; 13.129; 90; 103.168; 90; |
| COD ID: 4519158 | |
| CIF file | Formula: - C59 H86 B10 O - Comments: 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 11(22) (2021) 14047-14057 Space group: P -1 Cell volume: 2884.2 Cell parameters: 11.646; 11.847; 22.42; 91.159; 103.259; 105.903; |
| COD ID: 4519159 | |
| CIF file | Formula: - C60 H83 B9 Cl3 N2 O2 - Comments: 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 11(22) (2021) 14047-14057 Space group: P -1 Cell volume: 3290 Cell parameters: 14.9214; 15.0111; 17.2386; 108.538; 106.645; 102.932; |
| COD ID: 4519160 | |
| CIF file | Formula: - C93 H67 B10 N5 O6 - Comments: 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 11(22) (2021) 14047-14057 Space group: P -1 Cell volume: 3744.3 Cell parameters: 10.816; 16.257; 21.721; 100.657; 92.975; 92.071; |
| COD ID: 4519161 | |
| CIF file | Formula: - C28 H42 I N2 O3 P - Comments: 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 11(22) (2021) 14168-14180 Space group: P 1 21 1 Cell volume: 1563.05 Cell parameters: 10.2419; 15.1653; 10.3309; 90; 103.069; 90; |
| COD ID: 4519162 | |
| CIF file | Formula: - C25 H21 O3 P - Comments: 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 11(22) (2021) 14168-14180 Space group: P 21 21 21 Cell volume: 2059.08 Cell parameters: 10.772; 13.7803; 13.8713; 90; 90; 90; |
| COD ID: 4519163 | |
| CIF file | Formula: - C33 H37 Cl3 N O4 P S - Comments: 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 11(22) (2021) 13902-13912 Space group: P 21 21 21 Cell volume: 3493.7 Cell parameters: 11.8935; 13.9039; 21.127; 90; 90; 90; |
| COD ID: 4519164 | |
| CIF file | Formula: - C19 H17 N O5 S2 - Comments: 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 11(22) (2021) 13902-13912 Space group: P 1 21 1 Cell volume: 1875.54 Cell parameters: 9.0907; 19.9189; 10.3884; 90; 94.407; 90; |
| COD ID: 4519165 | |
| CIF file | Formula: - C19 H18 N2 - Comments: 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 11(22) (2021) 13880-13890 Space group: P 1 21 1 Cell volume: 771.3 Cell parameters: 5.693; 7.6997; 17.596; 90; 90.139; 90; |
| COD ID: 4519166 | |
| CIF file | Formula: - C31 H50 N2 - Comments: 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 11(22) (2021) 13880-13890 Space group: P 21 21 21 Cell volume: 2764.71 Cell parameters: 6.4329; 12.0639; 35.625; 90; 90; 90; |
| COD ID: 4519167 | |
| CIF file | Formula: - C48 H57 O P - Comments: Zhang, Xi; Wang, Juan; Yang, Shang-Dong Enantioselective Cobalt-Catalyzed Reductive Cross-Coupling for the Synthesis of Axially Chiral Phosphine–Olefin Ligands ACS Catalysis 11(22) (2021) 14008-14015 Space group: P 1 21 1 Cell volume: 1975.57 Cell parameters: 10.2524; 10.0212; 19.2295; 90; 90.56; 90; |
| COD ID: 4519168 | |
| CIF file | Formula: - C15 H15 F3 O - Comments: 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 11(22) (2021) 14293-14301 Space group: P 1 21 1 Cell volume: 679.4 Cell parameters: 10.697; 5.5963; 12.344; 90; 113.17; 90; |
| COD ID: 4519169 | |
| CIF file | Formula: - C33 H28 F7 N2 O2 P Pd - Comments: 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 11(22) (2021) 14188-14193 Space group: P -1 Cell volume: 3205.02 Cell parameters: 10.224; 15.6567; 20.8337; 102.492; 90.645; 99.746; |
| COD ID: 4519170 | |
| CIF file | Formula: - C21 H18 F7 N3 O5 - Comments: 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 11(22) (2021) 14188-14193 Space group: P -1 Cell volume: 1118.57 Cell parameters: 9.0926; 10.8538; 11.6733; 79.296; 87.955; 81.181; |
| COD ID: 4519171 | |
| CIF file | Formula: - C41 H49 Cl2 N3 O Ru - Comments: Park, Seongwook; Byun, Seunghwan; Ryu, Huijeoung; Hahm, Hyungwoo; Lee, Junseong; Hong, Sukwon Reversibly Photoswitchable Catalysts for Olefin Metathesis Reactions ACS Catalysis 11(22) (2021) 13860-13865 Space group: P -1 Cell volume: 1858.24 Cell parameters: 11.2474; 12.9764; 13.8903; 112.797; 92.8492; 93.8959; |
| COD ID: 4519172 | |
| CIF file | Formula: - C20 H16 N2 O4 - Comments: 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 11(22) (2021) 13921-13934 Space group: P 1 21/c 1 Cell volume: 1696.6 Cell parameters: 12.4452; 8.0989; 17.7051; 90; 108.065; 90; |
| COD ID: 4519173 | |
| CIF file | Formula: - C21 H21 N O2 - Comments: 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 11(22) (2021) 13921-13934 Space group: P -1 Cell volume: 1667.2 Cell parameters: 5.2145; 15.0019; 21.336; 92.576; 90.425; 90.701; |
| COD ID: 4519174 | |
| CIF file | Formula: - C19 H22 N2 O5 - Comments: 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 11(22) (2021) 13921-13934 Space group: P -1 Cell volume: 864.57 Cell parameters: 9.1689; 9.169; 11.0996; 88.373; 77.566; 71.735; |
| COD ID: 4519175 | |
| CIF file | Formula: - C19 H22 N2 O4 - Comments: 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 11(22) (2021) 13921-13934 Space group: P 1 21/n 1 Cell volume: 1668.57 Cell parameters: 5.474; 30.8299; 10.1841; 90; 103.872; 90; |
| COD ID: 4519176 | |
| CIF file | Formula: - C14 H16 N2 O - Comments: 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 11(22) (2021) 14262-14273 Space group: P 1 21/n 1 Cell volume: 1254.85 Cell parameters: 9.7613; 8.8089; 15.2633; 90; 107.035; 90; |
| COD ID: 4519177 | |
| CIF file | Formula: - C27 H44 Co P3 Si - Comments: 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 11(22) (2021) 14262-14273 Space group: P 1 21 1 Cell volume: 1462.16 Cell parameters: 9.0544; 18.8627; 9.465; 90; 115.243; 90; |
| COD ID: 4519178 | |
| CIF file | Formula: - C20 H21 F6 Ir N2 O4 - Comments: 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 11(22) (2021) 14194-14209 Space group: P 1 21/n 1 Cell volume: 2176.9 Cell parameters: 10.6577; 12.06; 17.0706; 90; 97.183; 90; |
| COD ID: 4519179 | |
| CIF file | Formula: - C20 H23 N O3 - Comments: 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 11(22) (2021) 13962-13972 Space group: P 1 21/n 1 Cell volume: 1670.24 Cell parameters: 5.1608; 12.7726; 25.3964; 90; 93.866; 90; |
| COD ID: 4519180 | |
| CIF file | Formula: - C22 H29 N O - Comments: 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 11(22) (2021) 13962-13972 Space group: P 1 21 1 Cell volume: 1851.13 Cell parameters: 7.5807; 11.25264; 21.8958; 90; 97.6552; 90; |
| COD ID: 4519181 | |
| CIF file | Formula: - C51 H86 O3 P2 Ru - Comments: 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 11(22) (2021) 13962-13972 Space group: P 1 21/c 1 Cell volume: 4775.81 Cell parameters: 20.07721; 13.38539; 17.77134; 90; 90.3343; 90; |
| COD ID: 4519245 | |
| CIF file | Formula: - C25 H18 Cl2 Co N4 O6 - Comments: 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 11(24) (2021) 15068-15082 Space group: P -1 Cell volume: 1233.47 Cell parameters: 9.2834; 9.3346; 15.0022; 91.257; 105.396; 99.442; |
| COD ID: 4519246 | |
| CIF file | Formula: - C81 H57 Cl2 Co4 N24 O24 - Comments: 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 11(24) (2021) 15068-15082 Space group: P 1 21/c 1 Cell volume: 8556 Cell parameters: 24.944; 10.3178; 33.2933; 90; 93.102; 90; |
| COD ID: 4519247 | |
| CIF file | Formula: - C16 H19 N S - Comments: Xu, Xian; Zheng, Xizhou; Xu, Xin Synthesis of Tetrahydroquinolines by Scandium-Catalyzed [3 + 3] Annulation of Anilines with Allenes and Dienes ACS Catalysis 11(24) (2021) 14995-15003 Space group: P 1 21/n 1 Cell volume: 1344.68 Cell parameters: 6.0388; 7.0061; 31.925; 90; 95.408; 90; |
| COD ID: 4519248 | |
| CIF file | Formula: - C24 H25 N - Comments: Xu, Xian; Zheng, Xizhou; Xu, Xin Synthesis of Tetrahydroquinolines by Scandium-Catalyzed [3 + 3] Annulation of Anilines with Allenes and Dienes ACS Catalysis 11(24) (2021) 14995-15003 Space group: P -1 Cell volume: 1841.35 Cell parameters: 10.1618; 13.2018; 13.798; 92.736; 93.818; 93.332; |
| COD ID: 4519249 | |
| CIF file | Formula: - C26 H26 F12 Fe N8 P2 - Comments: 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 11(24) (2021) 15212-15222 Space group: P 21 21 21 Cell volume: 3026.6 Cell parameters: 8.1567; 10.4245; 35.595; 90; 90; 90; |
| COD ID: 4519250 | |
| CIF file | Formula: - C13 H18 N2 O5 S - Comments: Li, Shuangqing; Wang, Shuangshuang; Li, Juan; Qi, Yue; Wang, Chao; Zong, Lili; Tan, Choon-Hong Monocationic Cinchoninium Catalyzed Asymmetric Oxohydroxylation of Enoates ACS Catalysis 11(24) (2021) 15141-15148 Space group: P 1 21 1 Cell volume: 1508.5 Cell parameters: 15.2089; 6.4415; 15.8188; 90; 103.255; 90; |
| COD ID: 4519251 | |
| CIF file | Formula: - C28 H31 N O4 S - Comments: 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 11(24) (2021) 15187-15193 Space group: P 1 Cell volume: 1244.26 Cell parameters: 11.2477; 11.2911; 11.5245; 85.163; 69.406; 65.577; |
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