Crystallography Open Database
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Searching journal of publication like 'ACS Catalysis' volume of publication is 10
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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4517169 | CIF | C11 H22 O2 | P b c a | 9.6851; 7.3807; 31.3965 90; 90; 90 | 2244.31 | Wu, Bin; Zhu, Rong Radical Philicity Inversion in Co- and Fe-Catalyzed Hydrogen-Atom-Transfer-Initiated Cyclizations of Unsaturated Acylsilanes ACS Catalysis, 2019, 10, 510 |
4517213 | CIF | C58 H52 F6 O4 P4 Pd | P 1 21/n 1 | 11.0969; 18.3586; 12.3866 90; 94.46; 90 | 2515.8 | 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, 2019, 10, 663 |
4517214 | CIF | C29 H30 Cl2 P2 Pd | P 1 21/c 1 | 11.3082; 17.6113; 13.8182 90; 92.789; 90 | 2748.7 | 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, 2019, 10, 663 |
4517215 | CIF | C36 H44 Cl4 P2 Pd | P b c a | 21.8565; 14.7082; 22.7524 90; 90; 90 | 7314.2 | 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, 2019, 10, 663 |
4517216 | CIF | C33 H38 Cl2 P2 Pd | P 1 21/n 1 | 11.2984; 20.6157; 14.14 90; 110.081; 90 | 3093.3 | 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, 2019, 10, 663 |
4517217 | CIF | C63 H56 B8 O16 | P -1 | 5.1932; 15.4161; 18.5227 72.871; 83.638; 89.832 | 1407.71 | Michigami, Kenichi; Sakaguchi, Tatsuhiko; Takemoto, Yoshiji Catalytic Dehydrative Peptide Synthesis with gem-Diboronic Acids ACS Catalysis, 2019, 10, 683 |
4517218 | CIF | C20 H40 O4 S Si4 | P 1 21/c 1 | 22.0893; 9.47947; 14.2315 90; 107.915; 90 | 2835.51 | Zhang, Zhikun; Hu, Xile Arylsilylation of Electron-Deficient Alkenes via Cooperative Photoredox and Nickel Catalysis ACS Catalysis, 2019, 10, 777 |
4517365 | CIF | C37 H36 Fe N O P S | P 1 21 1 | 10.9997; 10.5162; 14.1245 90; 106.586; 90 | 1565.87 | 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, 2020, 10, 1548-1554 |
4517366 | CIF | C32 H23 O P | P 1 21 1 | 9.5052; 11.4481; 11.0312 90; 93.722; 90 | 1197.84 | 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, 2020, 10, 1548-1554 |
4517367 | CIF | C38 H37 Cl3 Fe N O2 P S | P 1 21 1 | 10.3729; 11.5112; 15.6134 90; 106.888; 90 | 1783.91 | 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, 2020, 10, 1548-1554 |
4517368 | CIF | C27 H24 F3 N O6 S | P b c a | 13.5499; 15.2341; 24.4346 90; 90; 90 | 5043.8 | 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, 2020, 10, 1454-1459 |
4517369 | CIF | C16 H12 F3 N O4 S | P -1 | 8.4561; 8.5762; 12.4229 110.047; 111.941; 90.1156 | 776.24 | 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, 2020, 10, 1454-1459 |
4517370 | CIF | C29 H29 F4 N O6 S | P -1 | 9.4313; 11.4154; 13.8509 84.332; 74.645; 85.308 | 1428.55 | 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, 2020, 10, 1454-1459 |
4517383 | CIF | C31 H26 Br2 O4 | P 21 21 21 | 9.6286; 10.7523; 25.4679 90; 90; 90 | 2636.68 | 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, 2020, 10, 2596-2602 |
4517384 | CIF | C24 H20 O3 | P -1 | 7.712; 10.915; 12.298 114.959; 99.228; 100.157 | 891.3 | 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, 2020, 10, 2596-2602 |
4517385 | CIF | C53 H42 O2 P2 | P 1 21 1 | 8.89; 21.1643; 11.0358 90; 104.694; 90 | 2008.48 | 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, 2020, 10, 2596-2602 |
4517476 | CIF | C23 H33 Br O | P 1 21/c 1 | 15.7036; 13.5822; 9.9735 90; 97.264; 90 | 2110.2 | Takahashi, Toshifumi; Kurahashi, Takuya; Matsubara, Seijiro Nickel-Catalyzed Intermolecular Carbobromination of Alkynes ACS Catalysis, 2020, 10, 3773-3777 |
4517477 | CIF | C20 H21 Br O | P -1 | 9.0497; 11.0964; 17.4034 80.749; 86.494; 89.645 | 1721.66 | Takahashi, Toshifumi; Kurahashi, Takuya; Matsubara, Seijiro Nickel-Catalyzed Intermolecular Carbobromination of Alkynes ACS Catalysis, 2020, 10, 3773-3777 |
4517481 | CIF | C21 H24 N4 O | P -1 | 9.6626; 10.1376; 11.1294 97.909; 105.084; 114.113 | 923.2 | 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, 2020, 10, 3790-3796 |
4517482 | CIF | C18 H14 F N O | P -1 | 10.2367; 11.4102; 13.7829 109.851; 92.169; 112.466 | 1373.04 | 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, 2020, 10, 3790-3796 |
4517495 | CIF | C27 H34 O3 | P 21 21 21 | 7.447; 14.6245; 19.8929 90; 90; 90 | 2166.51 | Zhuo, Junming; Zhang, Yong; Li, Zijian; Li, Chao Nickel-Catalyzed Direct Acylation of Aryl and Alkyl Bromides with Acylimidazoles ACS Catalysis, 2020, 10, 3895-3903 |
4517496 | CIF | C39 H54 O5 | C 1 2 1 | 12.2802; 7.2838; 37.4807 90; 90.803; 90 | 3352.2 | Zhuo, Junming; Zhang, Yong; Li, Zijian; Li, Chao Nickel-Catalyzed Direct Acylation of Aryl and Alkyl Bromides with Acylimidazoles ACS Catalysis, 2020, 10, 3895-3903 |
4517497 | CIF | C22 H32 O4 | P 1 21 1 | 5.9236; 13.586; 12.496 90; 100.7; 90 | 988.2 | Zhuo, Junming; Zhang, Yong; Li, Zijian; Li, Chao Nickel-Catalyzed Direct Acylation of Aryl and Alkyl Bromides with Acylimidazoles ACS Catalysis, 2020, 10, 3895-3903 |
4517502 | CIF | C20 H37 Cl3 N P Pd | C 1 2/c 1 | 17.846; 15.0741; 18.2288 90; 94.492; 90 | 4888.71 | Hu, Huaiyuan; Gilliam, Ashley M.; Qu, Fengrui; Shaughnessy, Kevin H. Enolizable Ketones as Activators of Palladium(II) Precatalysts in Amine Arylation Reactions ACS Catalysis, 2020, 10, 4127-4135 |
4517513 | CIF | C86 H64 B Co F24 P4 | P 1 21/c 1 | 16.6366; 12.7954; 37.4749 90; 101.172; 90 | 7826.2 | 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, 2020, 10, 4337-4348 |
4517514 | CIF | C58 H60 Br3 Co O P4 Zn | P 1 21/c 1 | 14.1589; 17.0352; 24.3773 90; 100.025; 90 | 5790 | 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, 2020, 10, 4337-4348 |
4517519 | CIF | C21 H18 N2 O | P 1 21/c 1 | 10.2077; 19.7705; 8.1575 90; 97.395; 90 | 1632.58 | 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, 2020, 10, 4444-4450 |
4517520 | CIF | C22 H20 N2 O | P -1 | 9.0581; 9.9273; 10.2645 105.947; 96.819; 97.151 | 869.2 | 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, 2020, 10, 4444-4450 |
4517521 | CIF | C25 H20 N2 O | P -1 | 8.7963; 10.354; 11.5419 110.43; 100.373; 101.27 | 930.16 | 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, 2020, 10, 4444-4450 |
4517547 | CIF | C17 H22 O2 | P 1 21 1 | 15.249; 6.1775; 16.2653 90; 113.939; 90 | 1400.4 | 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, 2020, 10, 4786-4790 |
4517568 | CIF | C17 H14 Cl I N2 O2 | A e a 2 | 31.3169; 13.0613; 7.9634 90; 90; 90 | 3257.34 | Sun, Han-Li; Yang, Fan; Ye, Wei-Ting; Wang, Jun-Jie; Zhu, Rong Dual Cobalt and Photoredox Catalysis Enabled Intermolecular Oxidative Hydrofunctionalization ACS Catalysis, 2020, 10, 4983-4989 |
4517571 | CIF | C22 H26 Cl Ir N2 O | P 1 21/n 1 | 8.0634; 19.6046; 12.6297 90; 93.722; 90 | 1992.29 | 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, 2020, 10, 5173-5178 |
4517572 | CIF | C23 H32 N2 O2 Si | P 1 21/c 1 | 20.4075; 8.0569; 14.2212 90; 103.892; 90 | 2269.87 | 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, 2020, 10, 5173-5178 |
4517573 | CIF | C27 H36 N2 O3 S Si | P -1 | 8.2563; 8.5661; 19.6108 78.098; 89.653; 71.445 | 1283.94 | 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, 2020, 10, 5173-5178 |
4517574 | CIF | C65 H59 B Cl F24 Ir N2 O Si | I 1 2/a 1 | 43.3006; 12.9147; 24.7725 90; 103.997; 90 | 13441.8 | 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, 2020, 10, 5173-5178 |
4517575 | CIF | C23 H28 Cl Ir N2 O | P 1 21/c 1 | 20.6873; 7.8511; 26.1279 90; 98.161; 90 | 4200.7 | 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, 2020, 10, 5173-5178 |
4517576 | CIF | C18 H14 N2 O5 | P -1 | 7.4602; 7.7802; 14.1269 92.011; 102.586; 97.486 | 791.72 | Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines ACS Catalysis, 2020, 10, 5023-5029 |
4517577 | CIF | C12 H9 Br Cl3 N O2 | P 1 21/n 1 | 11.9493; 6.9494; 17.493 90; 104.384; 90 | 1407.1 | Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines ACS Catalysis, 2020, 10, 5023-5029 |
4517578 | CIF | C17 H14 N2 O3 | P 1 21/c 1 | 7.5628; 16.969; 11.191 90; 105.563; 90 | 1383.5 | Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines ACS Catalysis, 2020, 10, 5023-5029 |
4517579 | CIF | C16 H11 Cl N2 O3 | P 1 21/c 1 | 7.4538; 16.3766; 12.0863 90; 106.556; 90 | 1414.18 | Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines ACS Catalysis, 2020, 10, 5023-5029 |
4517598 | CIF | C23 H28 N2 O2 S | P 1 | 7.7639; 9.7745; 16.044 90.123; 96.248; 112.826 | 1114.2 | Rigotti, Thomas; Mas-Ballesté, Rubén; Alemán, José Enantioselective Aminocatalytic [2 + 2] Cycloaddition through Visible Light Excitation ACS Catalysis, 2020, 10, 5335-5346 |
4517639 | CIF | C20 H32 | P 21 21 2 | 13.5688; 11.1801; 11.1208 90; 90; 90 | 1687 | 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, 2020, 10, 5846-5851 |
4517770 | CIF | C12 H18 B2 F6 K2 O4 | P 1 21 1 | 9.9422; 6.0314; 15.453 90; 103.236; 90 | 902.03 | 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, 2020, 10, 7112-7116 |
4517772 | CIF | C26 H42 Cl4 Ir2 | P -1 | 8.389; 9.214; 9.659 102.796; 99.295; 100.694 | 699.2 | 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, 2020, 10, 7117-7122 |
4517773 | CIF | C20 H18 Br2 Fe N2 O2 | P 43 21 2 | 10.5631; 10.5631; 34.9612 90; 90; 90 | 3900.9 | 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, 2020, 10, 7117-7122 |
4517774 | CIF | C21 H17 Br2 N O2 S | P 1 | 5.2215; 7.9597; 23.385 87.72; 86.471; 89.947 | 969.3 | 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, 2020, 10, 7207-7215 |
4517775 | CIF | C26 H42 Cl4 Ir2 | P 1 21/c 1 | 12.4627; 18.1472; 12.9349 90; 93.987; 90 | 2918.3 | 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, 2020, 10, 7207-7215 |
4517776 | CIF | C23 H17 F6 N O4 S | P 21 21 21 | 5.5584; 14.559; 27.412 90; 90; 90 | 2218.3 | 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, 2020, 10, 7207-7215 |
4517777 | CIF | C24 H27 Ir O S | P 1 21/n 1 | 10.993; 14.5354; 12.7588 90; 94.905; 90 | 2031.23 | 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, 2020, 10, 7207-7215 |
4517778 | CIF | C26 H42 Cl4 Ir2 | P -1 | 8.3494; 9.1549; 9.6175 102.865; 98.989; 100.722 | 689.02 | 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, 2020, 10, 7207-7215 |
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