Crystallography Open Database

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Searching journal of publication like 'ACS Catalysis' volume of publication is 10

COD ID: 4517169
CIF file Formula: - C11 H22 O2 -
Comments: Wu, Bin; Zhu, Rong Radical Philicity Inversion in Co- and Fe-Catalyzed Hydrogen-Atom-Transfer-Initiated Cyclizations of Unsaturated Acylsilanes ACS Catalysis 10(1) (2019) 510
Space group: P b c a
Cell volume: 2244.31
Cell parameters: 9.6851; 7.3807; 31.3965; 90; 90; 90;  

COD ID: 4517213
CIF file Formula: - C58 H52 F6 O4 P4 Pd -
Comments: Tay, Dillon W. P.; Nobbs, James D.; Romain, Charles; White, Andrew J. P.; Aitipamula, Srinivasulu; van Meurs, Martin; Britovsek, George J. P. gem-Dialkyl Effect in Diphosphine Ligands: Synthesis, Coordination Behavior, and Application in Pd-Catalyzed Hydroformylation ACS Catalysis 10(1) (2019) 663
Space group: P 1 21/n 1
Cell volume: 2515.8
Cell parameters: 11.0969; 18.3586; 12.3866; 90; 94.46; 90;  

COD ID: 4517214
CIF file Formula: - C29 H30 Cl2 P2 Pd -
Comments: Tay, Dillon W. P.; Nobbs, James D.; Romain, Charles; White, Andrew J. P.; Aitipamula, Srinivasulu; van Meurs, Martin; Britovsek, George J. P. gem-Dialkyl Effect in Diphosphine Ligands: Synthesis, Coordination Behavior, and Application in Pd-Catalyzed Hydroformylation ACS Catalysis 10(1) (2019) 663
Space group: P 1 21/c 1
Cell volume: 2748.7
Cell parameters: 11.3082; 17.6113; 13.8182; 90; 92.789; 90;  

COD ID: 4517215
CIF file Formula: - C36 H44 Cl4 P2 Pd -
Comments: Tay, Dillon W. P.; Nobbs, James D.; Romain, Charles; White, Andrew J. P.; Aitipamula, Srinivasulu; van Meurs, Martin; Britovsek, George J. P. gem-Dialkyl Effect in Diphosphine Ligands: Synthesis, Coordination Behavior, and Application in Pd-Catalyzed Hydroformylation ACS Catalysis 10(1) (2019) 663
Space group: P b c a
Cell volume: 7314.2
Cell parameters: 21.8565; 14.7082; 22.7524; 90; 90; 90;  

COD ID: 4517216
CIF file Formula: - C33 H38 Cl2 P2 Pd -
Comments: Tay, Dillon W. P.; Nobbs, James D.; Romain, Charles; White, Andrew J. P.; Aitipamula, Srinivasulu; van Meurs, Martin; Britovsek, George J. P. gem-Dialkyl Effect in Diphosphine Ligands: Synthesis, Coordination Behavior, and Application in Pd-Catalyzed Hydroformylation ACS Catalysis 10(1) (2019) 663
Space group: P 1 21/n 1
Cell volume: 3093.3
Cell parameters: 11.2984; 20.6157; 14.14; 90; 110.081; 90;  

COD ID: 4517217
CIF file Formula: - C63 H56 B8 O16 -
Comments: Michigami, Kenichi; Sakaguchi, Tatsuhiko; Takemoto, Yoshiji Catalytic Dehydrative Peptide Synthesis with gem-Diboronic Acids ACS Catalysis 10(1) (2019) 683
Space group: P -1
Cell volume: 1407.71
Cell parameters: 5.1932; 15.4161; 18.5227; 72.871; 83.638; 89.832;  

COD ID: 4517218
CIF file Formula: - C20 H40 O4 S Si4 -
Comments: Zhang, Zhikun; Hu, Xile Arylsilylation of Electron-Deficient Alkenes via Cooperative Photoredox and Nickel Catalysis ACS Catalysis 10(1) (2019) 777
Space group: P 1 21/c 1
Cell volume: 2835.51
Cell parameters: 22.0893; 9.47947; 14.2315; 90; 107.915; 90;  

COD ID: 4517365
CIF file Formula: - C37 H36 Fe N O P S -
Comments: Ji, Wangqin; Wu, Hai-Hong; Zhang, Junliang Axially Chiral Biaryl Monophosphine Oxides Enabled by Palladium/WJ-Phos-Catalyzed Asymmetric Suzuki‒Miyaura Cross-coupling ACS Catalysis 10(2) (2020) 1548-1554
Space group: P 1 21 1
Cell volume: 1565.87
Cell parameters: 10.9997; 10.5162; 14.1245; 90; 106.586; 90;  

COD ID: 4517366
CIF file Formula: - C32 H23 O P -
Comments: Ji, Wangqin; Wu, Hai-Hong; Zhang, Junliang Axially Chiral Biaryl Monophosphine Oxides Enabled by Palladium/WJ-Phos-Catalyzed Asymmetric Suzuki‒Miyaura Cross-coupling ACS Catalysis 10(2) (2020) 1548-1554
Space group: P 1 21 1
Cell volume: 1197.84
Cell parameters: 9.5052; 11.4481; 11.0312; 90; 93.722; 90;  

COD ID: 4517367
CIF file Formula: - C38 H37 Cl3 Fe N O2 P S -
Comments: Ji, Wangqin; Wu, Hai-Hong; Zhang, Junliang Axially Chiral Biaryl Monophosphine Oxides Enabled by Palladium/WJ-Phos-Catalyzed Asymmetric Suzuki‒Miyaura Cross-coupling ACS Catalysis 10(2) (2020) 1548-1554
Space group: P 1 21 1
Cell volume: 1783.91
Cell parameters: 10.3729; 11.5112; 15.6134; 90; 106.888; 90;  

COD ID: 4517368
CIF file Formula: - C27 H24 F3 N O6 S -
Comments: Uno, Hiroto; Imai, Takanori; Harada, Kyosuke; Shibata, Norio Synthesis of Highly Functionalized 12-Membered Trifluoromethyl Heterocycles via a Nondecarboxylative Pd-Catalyzed [6 + 6] Annulation ACS Catalysis 10(2) (2020) 1454-1459
Space group: P b c a
Cell volume: 5043.8
Cell parameters: 13.5499; 15.2341; 24.4346; 90; 90; 90;  

COD ID: 4517369
CIF file Formula: - C16 H12 F3 N O4 S -
Comments: Uno, Hiroto; Imai, Takanori; Harada, Kyosuke; Shibata, Norio Synthesis of Highly Functionalized 12-Membered Trifluoromethyl Heterocycles via a Nondecarboxylative Pd-Catalyzed [6 + 6] Annulation ACS Catalysis 10(2) (2020) 1454-1459
Space group: P -1
Cell volume: 776.24
Cell parameters: 8.4561; 8.5762; 12.4229; 110.047; 111.941; 90.1156;  

COD ID: 4517370
CIF file Formula: - C29 H29 F4 N O6 S -
Comments: Uno, Hiroto; Imai, Takanori; Harada, Kyosuke; Shibata, Norio Synthesis of Highly Functionalized 12-Membered Trifluoromethyl Heterocycles via a Nondecarboxylative Pd-Catalyzed [6 + 6] Annulation ACS Catalysis 10(2) (2020) 1454-1459
Space group: P -1
Cell volume: 1428.55
Cell parameters: 9.4313; 11.4154; 13.8509; 84.332; 74.645; 85.308;  

COD ID: 4517383
CIF file Formula: - C31 H26 Br2 O4 -
Comments: Liu, Na; Zhu, Wanjiang; Yao, Jian; Yin, Long; Lu, Tao; Dou, Xiaowei Catalyst-Controlled Chemodivergent Synthesis of Spirochromans from Diarylideneacetones and Organoboronic Acids ACS Catalysis 10(4) (2020) 2596-2602
Space group: P 21 21 21
Cell volume: 2636.68
Cell parameters: 9.6286; 10.7523; 25.4679; 90; 90; 90;  

COD ID: 4517384
CIF file Formula: - C24 H20 O3 -
Comments: Liu, Na; Zhu, Wanjiang; Yao, Jian; Yin, Long; Lu, Tao; Dou, Xiaowei Catalyst-Controlled Chemodivergent Synthesis of Spirochromans from Diarylideneacetones and Organoboronic Acids ACS Catalysis 10(4) (2020) 2596-2602
Space group: P -1
Cell volume: 891.3
Cell parameters: 7.712; 10.915; 12.298; 114.959; 99.228; 100.157;  

COD ID: 4517385
CIF file Formula: - C53 H42 O2 P2 -
Comments: Liu, Na; Zhu, Wanjiang; Yao, Jian; Yin, Long; Lu, Tao; Dou, Xiaowei Catalyst-Controlled Chemodivergent Synthesis of Spirochromans from Diarylideneacetones and Organoboronic Acids ACS Catalysis 10(4) (2020) 2596-2602
Space group: P 1 21 1
Cell volume: 2008.48
Cell parameters: 8.89; 21.1643; 11.0358; 90; 104.694; 90;  

COD ID: 4517476
CIF file Formula: - C23 H33 Br O -
Comments: Takahashi, Toshifumi; Kurahashi, Takuya; Matsubara, Seijiro Nickel-Catalyzed Intermolecular Carbobromination of Alkynes ACS Catalysis 10(6) (2020) 3773-3777
Space group: P 1 21/c 1
Cell volume: 2110.2
Cell parameters: 15.7036; 13.5822; 9.9735; 90; 97.264; 90;  

COD ID: 4517477
CIF file Formula: - C20 H21 Br O -
Comments: Takahashi, Toshifumi; Kurahashi, Takuya; Matsubara, Seijiro Nickel-Catalyzed Intermolecular Carbobromination of Alkynes ACS Catalysis 10(6) (2020) 3773-3777
Space group: P -1
Cell volume: 1721.66
Cell parameters: 9.0497; 11.0964; 17.4034; 80.749; 86.494; 89.645;  

COD ID: 4517481
CIF file Formula: - C21 H24 N4 O -
Comments: Tan, Jin-Fay; Bormann, Carl Thomas; Severin, Kay; Cramer, Nicolai Alkynyl Triazenes as Fluoroalkyne Surrogates: Regioselective Access to 4-Fluoro-2-pyridones by a Rh(III)-Catalyzed C‒H Activation‒Lossen Rearrangement‒Wallach Reaction ACS Catalysis 10(6) (2020) 3790-3796
Space group: P -1
Cell volume: 923.2
Cell parameters: 9.6626; 10.1376; 11.1294; 97.909; 105.084; 114.113;  

COD ID: 4517482
CIF file Formula: - C18 H14 F N O -
Comments: Tan, Jin-Fay; Bormann, Carl Thomas; Severin, Kay; Cramer, Nicolai Alkynyl Triazenes as Fluoroalkyne Surrogates: Regioselective Access to 4-Fluoro-2-pyridones by a Rh(III)-Catalyzed C‒H Activation‒Lossen Rearrangement‒Wallach Reaction ACS Catalysis 10(6) (2020) 3790-3796
Space group: P -1
Cell volume: 1373.04
Cell parameters: 10.2367; 11.4102; 13.7829; 109.851; 92.169; 112.466;  

COD ID: 4517495
CIF file Formula: - C27 H34 O3 -
Comments: Zhuo, Junming; Zhang, Yong; Li, Zijian; Li, Chao Nickel-Catalyzed Direct Acylation of Aryl and Alkyl Bromides with Acylimidazoles ACS Catalysis 10(6) (2020) 3895-3903
Space group: P 21 21 21
Cell volume: 2166.51
Cell parameters: 7.447; 14.6245; 19.8929; 90; 90; 90;  

COD ID: 4517496
CIF file Formula: - C39 H54 O5 -
Comments: Zhuo, Junming; Zhang, Yong; Li, Zijian; Li, Chao Nickel-Catalyzed Direct Acylation of Aryl and Alkyl Bromides with Acylimidazoles ACS Catalysis 10(6) (2020) 3895-3903
Space group: C 1 2 1
Cell volume: 3352.2
Cell parameters: 12.2802; 7.2838; 37.4807; 90; 90.803; 90;  

COD ID: 4517497
CIF file Formula: - C22 H32 O4 -
Comments: Zhuo, Junming; Zhang, Yong; Li, Zijian; Li, Chao Nickel-Catalyzed Direct Acylation of Aryl and Alkyl Bromides with Acylimidazoles ACS Catalysis 10(6) (2020) 3895-3903
Space group: P 1 21 1
Cell volume: 988.2
Cell parameters: 5.9236; 13.586; 12.496; 90; 100.7; 90;  

COD ID: 4517502
CIF file Formula: - C20 H37 Cl3 N P Pd -
Comments: Hu, Huaiyuan; Gilliam, Ashley M.; Qu, Fengrui; Shaughnessy, Kevin H. Enolizable Ketones as Activators of Palladium(II) Precatalysts in Amine Arylation Reactions ACS Catalysis 10(7) (2020) 4127-4135
Space group: C 1 2/c 1
Cell volume: 4888.71
Cell parameters: 17.846; 15.0741; 18.2288; 90; 94.492; 90;  

COD ID: 4517513
CIF file Formula: - C86 H64 B Co F24 P4 -
Comments: Gray, Montgomery; Hines, Michael T.; Parsutkar, Mahesh M.; Wahlstrom, A. J.; Brunelli, Nicholas A.; RajanBabu, T. V. Mechanism of Cobalt-Catalyzed Heterodimerization of Acrylates and 1,3-Dienes. A Potential Role of Cationic Cobalt(I) Intermediates ACS Catalysis 10(7) (2020) 4337-4348
Space group: P 1 21/c 1
Cell volume: 7826.2
Cell parameters: 16.6366; 12.7954; 37.4749; 90; 101.172; 90;  

COD ID: 4517514
CIF file Formula: - C58 H60 Br3 Co O P4 Zn -
Comments: Gray, Montgomery; Hines, Michael T.; Parsutkar, Mahesh M.; Wahlstrom, A. J.; Brunelli, Nicholas A.; RajanBabu, T. V. Mechanism of Cobalt-Catalyzed Heterodimerization of Acrylates and 1,3-Dienes. A Potential Role of Cationic Cobalt(I) Intermediates ACS Catalysis 10(7) (2020) 4337-4348
Space group: P 1 21/c 1
Cell volume: 5790
Cell parameters: 14.1589; 17.0352; 24.3773; 90; 100.025; 90;  

COD ID: 4517519
CIF file Formula: - C21 H18 N2 O -
Comments: Zhu, Cuiju; Kuniyil, Rositha; Jei, Becky B.; Ackermann, Lutz Domino C‒H Activation/Directing Group Migration/Alkyne Annulation: Unique Selectivity by d6-Cobalt(III) Catalysts ACS Catalysis 10(7) (2020) 4444-4450
Space group: P 1 21/c 1
Cell volume: 1632.58
Cell parameters: 10.2077; 19.7705; 8.1575; 90; 97.395; 90;  

COD ID: 4517520
CIF file Formula: - C22 H20 N2 O -
Comments: Zhu, Cuiju; Kuniyil, Rositha; Jei, Becky B.; Ackermann, Lutz Domino C‒H Activation/Directing Group Migration/Alkyne Annulation: Unique Selectivity by d6-Cobalt(III) Catalysts ACS Catalysis 10(7) (2020) 4444-4450
Space group: P -1
Cell volume: 869.2
Cell parameters: 9.0581; 9.9273; 10.2645; 105.947; 96.819; 97.151;  

COD ID: 4517521
CIF file Formula: - C25 H20 N2 O -
Comments: Zhu, Cuiju; Kuniyil, Rositha; Jei, Becky B.; Ackermann, Lutz Domino C‒H Activation/Directing Group Migration/Alkyne Annulation: Unique Selectivity by d6-Cobalt(III) Catalysts ACS Catalysis 10(7) (2020) 4444-4450
Space group: P -1
Cell volume: 930.16
Cell parameters: 8.7963; 10.354; 11.5419; 110.43; 100.373; 101.27;  

COD ID: 4517547
CIF file Formula: - C17 H22 O2 -
Comments: Dai, Zhen-Yao; Nong, Zhong-Sheng; Wang, Pu-Sheng Light-Mediated Asymmetric Aliphatic C‒H Alkylation with Hydrogen Atom Transfer Catalyst and Chiral Phosphoric Acid ACS Catalysis 10(8) (2020) 4786-4790
Space group: P 1 21 1
Cell volume: 1400.4
Cell parameters: 15.249; 6.1775; 16.2653; 90; 113.939; 90;  

COD ID: 4517568
CIF file Formula: - C17 H14 Cl I N2 O2 -
Comments: Sun, Han-Li; Yang, Fan; Ye, Wei-Ting; Wang, Jun-Jie; Zhu, Rong Dual Cobalt and Photoredox Catalysis Enabled Intermolecular Oxidative Hydrofunctionalization ACS Catalysis 10(9) (2020) 4983-4989
Space group: A e a 2
Cell volume: 3257.34
Cell parameters: 31.3169; 13.0613; 7.9634; 90; 90; 90;  

COD ID: 4517571
CIF file Formula: - C22 H26 Cl Ir N2 O -
Comments: Mahato, Sanjit K.; Chatani, Naoto The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle ACS Catalysis 10(9) (2020) 5173-5178
Space group: P 1 21/n 1
Cell volume: 1992.29
Cell parameters: 8.0634; 19.6046; 12.6297; 90; 93.722; 90;  

COD ID: 4517572
CIF file Formula: - C23 H32 N2 O2 Si -
Comments: Mahato, Sanjit K.; Chatani, Naoto The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle ACS Catalysis 10(9) (2020) 5173-5178
Space group: P 1 21/c 1
Cell volume: 2269.87
Cell parameters: 20.4075; 8.0569; 14.2212; 90; 103.892; 90;  

COD ID: 4517573
CIF file Formula: - C27 H36 N2 O3 S Si -
Comments: Mahato, Sanjit K.; Chatani, Naoto The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle ACS Catalysis 10(9) (2020) 5173-5178
Space group: P -1
Cell volume: 1283.94
Cell parameters: 8.2563; 8.5661; 19.6108; 78.098; 89.653; 71.445;  

COD ID: 4517574
CIF file Formula: - C65 H59 B Cl F24 Ir N2 O Si -
Comments: Mahato, Sanjit K.; Chatani, Naoto The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle ACS Catalysis 10(9) (2020) 5173-5178
Space group: I 1 2/a 1
Cell volume: 13441.8
Cell parameters: 43.3006; 12.9147; 24.7725; 90; 103.997; 90;  

COD ID: 4517575
CIF file Formula: - C23 H28 Cl Ir N2 O -
Comments: Mahato, Sanjit K.; Chatani, Naoto The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle ACS Catalysis 10(9) (2020) 5173-5178
Space group: P 1 21/c 1
Cell volume: 4200.7
Cell parameters: 20.6873; 7.8511; 26.1279; 90; 98.161; 90;  

COD ID: 4517576
CIF file Formula: - C18 H14 N2 O5 -
Comments: Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines ACS Catalysis 10(9) (2020) 5023-5029
Space group: P -1
Cell volume: 791.72
Cell parameters: 7.4602; 7.7802; 14.1269; 92.011; 102.586; 97.486;  

COD ID: 4517577
CIF file Formula: - C12 H9 Br Cl3 N O2 -
Comments: Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines ACS Catalysis 10(9) (2020) 5023-5029
Space group: P 1 21/n 1
Cell volume: 1407.1
Cell parameters: 11.9493; 6.9494; 17.493; 90; 104.384; 90;  

COD ID: 4517578
CIF file Formula: - C17 H14 N2 O3 -
Comments: Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines ACS Catalysis 10(9) (2020) 5023-5029
Space group: P 1 21/c 1
Cell volume: 1383.5
Cell parameters: 7.5628; 16.969; 11.191; 90; 105.563; 90;  

COD ID: 4517579
CIF file Formula: - C16 H11 Cl N2 O3 -
Comments: Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines ACS Catalysis 10(9) (2020) 5023-5029
Space group: P 1 21/c 1
Cell volume: 1414.18
Cell parameters: 7.4538; 16.3766; 12.0863; 90; 106.556; 90;  

COD ID: 4517598
CIF file Formula: - C23 H28 N2 O2 S -
Comments: Rigotti, Thomas; Mas-Ballesté, Rubén; Alemán, José Enantioselective Aminocatalytic [2 + 2] Cycloaddition through Visible Light Excitation ACS Catalysis 10(9) (2020) 5335-5346
Space group: P 1
Cell volume: 1114.2
Cell parameters: 7.7639; 9.7745; 16.044; 90.123; 96.248; 112.826;  

COD ID: 4517639
CIF file Formula: - C20 H32 -
Comments: Li, Zhong; Jiang, Yuanyuan; Zhang, Xingwang; Chang, Yimin; Li, Shuai; Zhang, Xiaomin; Zheng, Shanmin; Geng, Ce; Men, Ping; Ma, Li; Yang, Ying; Gao, Zhengquan; Tang, Ya-Jie; Li, Shengying Fragrant Venezuelaenes A and B with A 5‒5‒6‒7 Tetracyclic Skeleton: Discovery, Biosynthesis, and Mechanisms of Central Catalysts ACS Catalysis 10(10) (2020) 5846-5851
Space group: P 21 21 2
Cell volume: 1687
Cell parameters: 13.5688; 11.1801; 11.1208; 90; 90; 90;  

COD ID: 4517770
CIF file Formula: - C12 H18 B2 F6 K2 O4 -
Comments: Wittmann, Bruce J.; Knight, Anders M.; Hofstra, Julie L.; Reisman, Sarah E.; Jennifer Kan, S. B.; Arnold, Frances H. Diversity-Oriented Enzymatic Synthesis of Cyclopropane Building Blocks ACS Catalysis 10(13) (2020) 7112-7116
Space group: P 1 21 1
Cell volume: 902.03
Cell parameters: 9.9422; 6.0314; 15.453; 90; 103.236; 90;  

COD ID: 4517772
CIF file Formula: - C26 H42 Cl4 Ir2 -
Comments: Liu, Lei; Song, Hong; Liu, Yan-Hua; Wu, Le-Song; Shi, Bing-Feng Achiral CpxIr(III)/Chiral Carboxylic Acid Catalyzed Enantioselective C‒H Amidation of Ferrocenes under Mild Conditions ACS Catalysis 10(13) (2020) 7117-7122
Space group: P -1
Cell volume: 699.2
Cell parameters: 8.389; 9.214; 9.659; 102.796; 99.295; 100.694;  

COD ID: 4517773
CIF file Formula: - C20 H18 Br2 Fe N2 O2 -
Comments: Liu, Lei; Song, Hong; Liu, Yan-Hua; Wu, Le-Song; Shi, Bing-Feng Achiral CpxIr(III)/Chiral Carboxylic Acid Catalyzed Enantioselective C‒H Amidation of Ferrocenes under Mild Conditions ACS Catalysis 10(13) (2020) 7117-7122
Space group: P 43 21 2
Cell volume: 3900.9
Cell parameters: 10.5631; 10.5631; 34.9612; 90; 90; 90;  

COD ID: 4517774
CIF file Formula: - C21 H17 Br2 N O2 S -
Comments: Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides ACS Catalysis 10(13) (2020) 7207-7215
Space group: P 1
Cell volume: 969.3
Cell parameters: 5.2215; 7.9597; 23.385; 87.72; 86.471; 89.947;  

COD ID: 4517775
CIF file Formula: - C26 H42 Cl4 Ir2 -
Comments: Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides ACS Catalysis 10(13) (2020) 7207-7215
Space group: P 1 21/c 1
Cell volume: 2918.3
Cell parameters: 12.4627; 18.1472; 12.9349; 90; 93.987; 90;  

COD ID: 4517776
CIF file Formula: - C23 H17 F6 N O4 S -
Comments: Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides ACS Catalysis 10(13) (2020) 7207-7215
Space group: P 21 21 21
Cell volume: 2218.3
Cell parameters: 5.5584; 14.559; 27.412; 90; 90; 90;  

COD ID: 4517777
CIF file Formula: - C24 H27 Ir O S -
Comments: Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides ACS Catalysis 10(13) (2020) 7207-7215
Space group: P 1 21/n 1
Cell volume: 2031.23
Cell parameters: 10.993; 14.5354; 12.7588; 90; 94.905; 90;  

COD ID: 4517778
CIF file Formula: - C26 H42 Cl4 Ir2 -
Comments: Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides ACS Catalysis 10(13) (2020) 7207-7215
Space group: P -1
Cell volume: 689.02
Cell parameters: 8.3494; 9.1549; 9.6175; 102.865; 98.989; 100.722;  

COD ID: 4517779
CIF file Formula: - C29 H29 N2 O3 -
Comments: Guo, Tao; Ding, Yalan; Zhou, Lili; Xu, Haiyan; Loh, Teck-Peng; Wu, Xiaojin Palladium-Catalyzed anti-Michael Reductive Heck Reaction of α,β-Unsaturated Esters ACS Catalysis 10(13) (2020) 7262-7268
Space group: P -1
Cell volume: 1415.3
Cell parameters: 10.548; 11.96; 13.948; 94.54; 111.21; 115.903;  

COD ID: 4517796
CIF file Formula: - C51 H51 F9 N5 O9 P3 Ru S3 -
Comments: Erickson, Jeremy D.; Preston, Andrew Z.; Linehan, John C.; Wiedner, Eric S. Enhanced Hydrogenation of Carbon Dioxide to Methanol by a Ruthenium Complex with a Charged Outer-Coordination Sphere ACS Catalysis 10(13) (2020) 7419-7423
Space group: P 21 21 21
Cell volume: 5741
Cell parameters: 12.6221; 20.3106; 22.3941; 90; 90; 90;  

COD ID: 4518051
CIF file Formula: - C11 H21 N O3 -
Comments: Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives ACS Catalysis 10(19) (2020) 11365-11370
Space group: P c a 21
Cell volume: 2460.06
Cell parameters: 9.8601; 5.6544; 44.1243; 90; 90; 90;  

COD ID: 4518052
CIF file Formula: - C11 H21 N O3 -
Comments: Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives ACS Catalysis 10(19) (2020) 11365-11370
Space group: P b c a
Cell volume: 2409.06
Cell parameters: 9.2362; 10.9879; 23.7378; 90; 90; 90;  

COD ID: 4518053
CIF file Formula: - C12 H16 O -
Comments: Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives ACS Catalysis 10(19) (2020) 11365-11370
Space group: P 1 21/c 1
Cell volume: 975.23
Cell parameters: 14.6389; 5.303; 13.1361; 90; 106.994; 90;  

COD ID: 4518054
CIF file Formula: - C15 H28 O2 -
Comments: Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives ACS Catalysis 10(19) (2020) 11365-11370
Space group: P 1 21/c 1
Cell volume: 1430.82
Cell parameters: 9.1475; 19.6782; 7.9541; 90; 92.11; 90;  

COD ID: 4518056
CIF file Formula: - C20 H24 O5 S2 -
Comments: Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V. Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition ACS Catalysis 10(19) (2020) 11448-11457
Space group: P b c a
Cell volume: 3813.73
Cell parameters: 13.1697; 8.5458; 33.8861; 90; 90; 90;  

COD ID: 4518057
CIF file Formula: - C128 H210 O13 -
Comments: Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V. Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition ACS Catalysis 10(19) (2020) 11448-11457
Space group: C 1 2 1
Cell volume: 5706.86
Cell parameters: 27.5054; 7.159; 28.9864; 90; 91.009; 90;  

COD ID: 4518058
CIF file Formula: - C15 H20 O2 -
Comments: Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V. Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition ACS Catalysis 10(19) (2020) 11448-11457
Space group: P 1 21/n 1
Cell volume: 1291.74
Cell parameters: 6.46515; 7.56208; 26.4823; 90; 93.8866; 90;  

COD ID: 4518059
CIF file Formula: - C20 H30 B N O4 -
Comments: Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V. Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition ACS Catalysis 10(19) (2020) 11448-11457
Space group: P 1 21/c 1
Cell volume: 2033.05
Cell parameters: 13.4325; 9.9472; 15.5089; 90; 101.16; 90;  

COD ID: 4518060
CIF file Formula: - C20 H22 F2 O4 S2 -
Comments: Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V. Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition ACS Catalysis 10(19) (2020) 11448-11457
Space group: P 1 21/c 1
Cell volume: 1957.44
Cell parameters: 11.66361; 15.02503; 11.25687; 90; 97.1362; 90;  

COD ID: 4518061
CIF file Formula: - C37 H56 O3 S -
Comments: Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V. Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition ACS Catalysis 10(19) (2020) 11448-11457
Space group: P 1 21 1
Cell volume: 3214.35
Cell parameters: 14.75517; 11.9167; 18.31913; 90; 93.7103; 90;  

COD ID: 4518062
CIF file Formula: - C16 H26 O2 -
Comments: Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V. Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition ACS Catalysis 10(19) (2020) 11448-11457
Space group: C 1 2/c 1
Cell volume: 2808
Cell parameters: 23.988; 6.72515; 18.4587; 90; 109.443; 90;  

COD ID: 4518064
CIF file Formula: - C14 H12 O5 -
Comments: Karlinskii, Bogdan Ya.; Kostyukovich, Alexander Yu.; Kucherov, Fedor A.; Galkin, Konstantin I.; Kozlov, Kirill S.; Ananikov, Valentine P. Directing-Group-Free, Carbonyl Group-Promoted Catalytic C‒H Arylation of Bio-Based Furans ACS Catalysis 10(19) (2020) 11466-11480
Space group: P 1 21/c 1
Cell volume: 1192.73
Cell parameters: 14.8299; 7.4261; 11.4598; 90; 109.078; 90;  

COD ID: 4518065
CIF file Formula: - C18 H12 O3 -
Comments: Karlinskii, Bogdan Ya.; Kostyukovich, Alexander Yu.; Kucherov, Fedor A.; Galkin, Konstantin I.; Kozlov, Kirill S.; Ananikov, Valentine P. Directing-Group-Free, Carbonyl Group-Promoted Catalytic C‒H Arylation of Bio-Based Furans ACS Catalysis 10(19) (2020) 11466-11480
Space group: C 1 2/c 1
Cell volume: 2663.2
Cell parameters: 12.3333; 11.1772; 19.7023; 90; 101.316; 90;  

COD ID: 4518066
CIF file Formula: - C13 H7 F3 O3 -
Comments: Karlinskii, Bogdan Ya.; Kostyukovich, Alexander Yu.; Kucherov, Fedor A.; Galkin, Konstantin I.; Kozlov, Kirill S.; Ananikov, Valentine P. Directing-Group-Free, Carbonyl Group-Promoted Catalytic C‒H Arylation of Bio-Based Furans ACS Catalysis 10(19) (2020) 11466-11480
Space group: P 1 21/c 1
Cell volume: 1092.81
Cell parameters: 11.0065; 13.6364; 7.4223; 90; 101.195; 90;  

COD ID: 4518119
CIF file Formula: - C47 H51 Al Cl4 N5 O4 P2 Rh -
Comments: Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand ACS Catalysis 10(20) (2020) 12223-12228
Space group: P 1 21/n 1
Cell volume: 4791.96
Cell parameters: 15.4262; 17.0323; 19.6403; 90; 111.781; 90;  

COD ID: 4518120
CIF file Formula: - C88 H68 Cl14 Ga4 N8 P4 Rh2 -
Comments: Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand ACS Catalysis 10(20) (2020) 12223-12228
Space group: P -1
Cell volume: 4939.85
Cell parameters: 16.4861; 17.1218; 18.1159; 102.604; 96.8135; 92.8749;  

COD ID: 4518121
CIF file Formula: - C47 H45 Cl7 In2 N3 O2 P2 Rh -
Comments: Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand ACS Catalysis 10(20) (2020) 12223-12228
Space group: P -1
Cell volume: 2500.25
Cell parameters: 12.4389; 13.5826; 15.0995; 83.4699; 80.9723; 86.2699;  

COD ID: 4518122
CIF file Formula: - C126 H110 Cl12 Ga4 N6 O3 P6 Rh2 -
Comments: Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand ACS Catalysis 10(20) (2020) 12223-12228
Space group: C 1 2/c 1
Cell volume: 12466.8
Cell parameters: 37.4179; 14.6854; 22.6886; 90; 90.5378; 90;  

COD ID: 4518195
CIF file Formula: - C20 H19 Br N2 O3 -
Comments: Harada, Shingo; Kobayashi, Mayu; Kono, Masato; Nemoto, Tetsuhiro Site-Selective and Chemoselective C‒H Functionalization for the Synthesis of Spiroaminals via a Silver-Catalyzed Nitrene Transfer Reaction ACS Catalysis 10(22) (2020) 13296-13304
Space group: P 21 21 21
Cell volume: 3732.24
Cell parameters: 11.3768; 13.3425; 24.5874; 90; 90; 90;  

COD ID: 4518198
CIF file Formula: - C20 H24 I N2 Rh -
Comments: Sánchez-Page, Beatriz; Munarriz, Julen; Jiménez, M. Victoria; Pérez-Torrente, Jesús J.; Blasco, Javier; Subias, Gloria; Passarelli, Vincenzo; Álvarez, Patricia β-(Z) Selectivity Control by Cyclometalated Rhodium(III)‒Triazolylidene Homogeneous and Heterogeneous Terminal Alkyne Hydrosilylation Catalysts ACS Catalysis 10(22) (2020) 13334-13351
Space group: P 1 21/c 1
Cell volume: 1901.2
Cell parameters: 14.0181; 8.46; 16.4369; 90; 102.753; 90;  

COD ID: 4518199
CIF file Formula: - C26 H28 Cl3 I N3 Rh -
Comments: Sánchez-Page, Beatriz; Munarriz, Julen; Jiménez, M. Victoria; Pérez-Torrente, Jesús J.; Blasco, Javier; Subias, Gloria; Passarelli, Vincenzo; Álvarez, Patricia β-(Z) Selectivity Control by Cyclometalated Rhodium(III)‒Triazolylidene Homogeneous and Heterogeneous Terminal Alkyne Hydrosilylation Catalysts ACS Catalysis 10(22) (2020) 13334-13351
Space group: P 1 21/c 1
Cell volume: 2738
Cell parameters: 17.652; 12.0217; 14.0368; 90; 113.194; 90;  

COD ID: 4518200
CIF file Formula: - C30 H31 N5 Ti -
Comments: See, Xin Yi; Wen, Xuelan; Wheeler, T. Alexander; Klein, Channing K.; Goodpaster, Jason D.; Reiner, Benjamin R.; Tonks, Ian A. Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis ACS Catalysis 10(22) (2020) 13504-13517
Space group: P 43 21 2
Cell volume: 6026.9
Cell parameters: 12.9396; 12.9396; 35.996; 90; 90; 90;  

COD ID: 4518201
CIF file Formula: - C82.52 H77.04 N10 Ti2 -
Comments: See, Xin Yi; Wen, Xuelan; Wheeler, T. Alexander; Klein, Channing K.; Goodpaster, Jason D.; Reiner, Benjamin R.; Tonks, Ian A. Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis ACS Catalysis 10(22) (2020) 13504-13517
Space group: P 1 21/n 1
Cell volume: 6834.2
Cell parameters: 9.4737; 36.2928; 19.9562; 90; 95.112; 90;  

COD ID: 4518202
CIF file Formula: - C80 H78 Cl N2 O3 P3 Ti2 -
Comments: See, Xin Yi; Wen, Xuelan; Wheeler, T. Alexander; Klein, Channing K.; Goodpaster, Jason D.; Reiner, Benjamin R.; Tonks, Ian A. Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis ACS Catalysis 10(22) (2020) 13504-13517
Space group: P 1 21/c 1
Cell volume: 6964.6
Cell parameters: 24.117; 15.0952; 20.943; 90; 114.01; 90;  

COD ID: 4518203
CIF file Formula: - C50 H62 Cl4 N6 Ti2 -
Comments: See, Xin Yi; Wen, Xuelan; Wheeler, T. Alexander; Klein, Channing K.; Goodpaster, Jason D.; Reiner, Benjamin R.; Tonks, Ian A. Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis ACS Catalysis 10(22) (2020) 13504-13517
Space group: P -1
Cell volume: 1213.89
Cell parameters: 9.8644; 12.5071; 12.5128; 116.587; 93.947; 112.994;  

COD ID: 4518214
CIF file Formula: - C16 H13 Cl2 N S -
Comments: Su, Yong-Liang; Tram, Linh; Wherritt, Daniel; Arman, Hadi; Griffith, Wendell P.; Doyle, Michael P. α-Amino Radical-Mediated Diverse Difunctionalization of Alkenes: Construction of C‒C, C‒N, and C‒S Bonds ACS Catalysis 10(22) (2020) 13682-13687
Space group: C 1 c 1
Cell volume: 1507.36
Cell parameters: 11.7514; 13.3298; 9.6736; 90; 95.87; 90;  

COD ID: 4518215
CIF file Formula: - C14 H11 Cl2 N S -
Comments: Su, Yong-Liang; Tram, Linh; Wherritt, Daniel; Arman, Hadi; Griffith, Wendell P.; Doyle, Michael P. α-Amino Radical-Mediated Diverse Difunctionalization of Alkenes: Construction of C‒C, C‒N, and C‒S Bonds ACS Catalysis 10(22) (2020) 13682-13687
Space group: P 1 21 1
Cell volume: 656.294
Cell parameters: 7.9208; 5.9641; 13.9611; 90; 95.677; 90;  

COD ID: 4518216
CIF file Formula: - C81 H90 Br5 N13 Ni4 O3 -
Comments: Long, Cheng-Yu; Ni, Shao-Fei; Su, Min-Hui; Wang, Xue-Qiang; Tan, Weihong Highly Chemoselective Access to 2,2′-Diaminobiaryls via Ni-Catalyzed Protecting-Group-Free Coupling of 2-Haloanilines ACS Catalysis 10(22) (2020) 13641-13649
Space group: P 1 21 1
Cell volume: 4413.5
Cell parameters: 12.1646; 21.938; 16.962; 90; 102.835; 90;  


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