Crystallography Open Database
Search results
Result: there are 2395 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching journal of publication like 'ACS Catalysis'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 4519299 | CIF | C41 H48 Cu F6 N4 O10 S2 | P 21 21 21 | 14.6616; 15.7092; 19.6198 90; 90; 90 | 4518.9 | Nishimura, Kazuki; Wang, Yanzhao; Ogura, Yoshihiro; Kumagai, Jun; Ishihara, Kazuaki A π–Cu(II)−π Complex as an Extremely Active Catalyst for Enantioselective α-Halogenation of N-Acyl-3,5-dimethylpyrazoles ACS Catalysis, 2022, 12, 1012-1017 |
| 4519300 | CIF | C24 H21 N | C 1 2/c 1 | 24.644; 7.0908; 20.5784 90; 91.432; 90 | 3594.9 | Rodriguez, Jessica; Vesseur, David; Tabey, Alexis; Mallet-Ladeira, Sonia; Miqueu, Karinne; Bourissou, Didier Au(I)/Au(III) Catalytic Allylation Involving π-Allyl Au(III) Complexes ACS Catalysis, 2022, 12, 993-1003 |
| 4519301 | CIF | C40 H38 N2 O8 S2 | P 1 21/c 1 | 14.4266; 7.4071; 33.2757 90; 96.682; 90 | 3531.66 | He, Qiyuan; Yamazaki, Ken; Ano, Yusuke; Chatani, Naoto Palladium-Catalyzed Site-Selective [5 + 1] Annulation of Aromatic Amides with Alkenes: Acceleration of β-Hydride Elimination by Maleic Anhydride from Palladacycle ACS Catalysis, 2022, 12, 1595-1600 |
| 4519302 | CIF | C28 H37 N O3 | C 1 2/c 1 | 27.2805; 9.5063; 18.9097 90; 92.819; 90 | 4898.04 | Su, Yong-Liang; Liu, Geng-Xin; De Angelis, Luca; He, Ru; Al-Sayyed, Ammar; Schanze, Kirk S.; Hu, Wen-Hao; Qiu, Huang; Doyle, Michael P. Radical Cascade Multicomponent Minisci Reactions with Diazo Compounds ACS Catalysis, 2022, 12, 1357-1363 |
| 4519303 | CIF | C25 H36 N O3 | C 1 2/c 1 | 24.2586; 10.3745; 18.8315 90; 93.703; 90 | 4729.4 | Su, Yong-Liang; Liu, Geng-Xin; De Angelis, Luca; He, Ru; Al-Sayyed, Ammar; Schanze, Kirk S.; Hu, Wen-Hao; Qiu, Huang; Doyle, Michael P. Radical Cascade Multicomponent Minisci Reactions with Diazo Compounds ACS Catalysis, 2022, 12, 1357-1363 |
| 4519304 | CIF | C16 H15 N O | P -1 | 4.86815; 8.4796; 15.0305 75.423; 85.496; 84.466 | 596.74 | Leclair, Alexandre; Wang, Qian; Zhu, Jieping Two-Carbon Ring Expansion of Cyclobutanols to Cyclohexenones Enabled by Indole Radical Cation Intermediate: Development and Application to a Total Synthesis of Uleine ACS Catalysis, 2022, 12, 1209-1215 |
| 4519305 | CIF | C19 H17 N O | P b c n | 26.2423; 15.2953; 7.4169 90; 90; 90 | 2977.02 | Zhao, Xin; Yang, Fang; Zou, Shao-Yu; Zhou, Qian-Qian; Chen, Zi-Sheng; Ji, Kegong Cu-Catalyzed Intermolecular γ-Site C–H Amination of Cyclohexenone Derivatives: The Benefit of Bifunctional Ligands ACS Catalysis, 2022, 1732-1741 |
| 4519306 | CIF | C36 H35 N3 O8 | P -1 | 6.8134; 14.9283; 16.487 87.748; 78.963; 79.267 | 1617.11 | Zhao, Xin; Yang, Fang; Zou, Shao-Yu; Zhou, Qian-Qian; Chen, Zi-Sheng; Ji, Kegong Cu-Catalyzed Intermolecular γ-Site C–H Amination of Cyclohexenone Derivatives: The Benefit of Bifunctional Ligands ACS Catalysis, 2022, 1732-1741 |
| 4519307 | CIF | C23 H25 N5 O4 | P 21 21 21 | 6.36481; 17.9645; 18.8399 90; 90; 90 | 2154.17 | Zhao, Xin; Yang, Fang; Zou, Shao-Yu; Zhou, Qian-Qian; Chen, Zi-Sheng; Ji, Kegong Cu-Catalyzed Intermolecular γ-Site C–H Amination of Cyclohexenone Derivatives: The Benefit of Bifunctional Ligands ACS Catalysis, 2022, 1732-1741 |
| 4519327 | CIF | C18 H22 O3 | P 21 21 21 | 8.9764; 10.4533; 16.0723 90; 90; 90 | 1508.11 | Peng, Yaqin; Gao, Chenghua; Zhang, Zili; Wu, Shijie; Zhao, Jing; Li, Aitao A Chemoenzymatic Strategy for the Synthesis of Steroid Drugs Enabled by P450 Monooxygenase-Mediated Steroidal Core Modification ACS Catalysis, 2022, 2907-2914 |
| 4519328 | CIF | C30 H50 N3 O3 Sc Si2 | P -1 | 9.295; 9.951; 18.689 96.21; 96.947; 109.414 | 1597.9 | Belli, Roman G.; Tafuri, Victoria C.; Joannou, Matthew V.; Roberts, Courtney C. d0 Metal-Catalyzed Alkyl–Alkyl Cross-Coupling Enabled by a Redox-Active Ligand ACS Catalysis, 2022, 3094-3099 |
| 4519329 | CIF | C22 H19 Fe N O3 | P 1 21 1 | 6.7812; 22.3955; 12.8222 90; 105.197; 90 | 1879.19 | Wang, Quannan; Nie, Yu-Han; Liu, Chen-Xu; Zhang, Wen-Wen; Wu, Zhi-Jie; Gu, Qing; Zheng, Chao; You, Shu-Li Rhodium(III)-Catalyzed Enantioselective C–H Activation/Annulation of Ferrocenecarboxamides with Internal Alkynes ACS Catalysis, 2022, 3083-3093 |
| 4519330 | CIF | C23 H18 O | P -1 | 8.8621; 10.1071; 10.9059 93.225; 112.881; 109.629 | 827.8 | Abel-Snape, Xavier; Wycich, Gina; Lautens, Mark Synthesis of Indenes and Benzofulvenes via a Palladium-Catalyzed Three-Component Reaction ACS Catalysis, 2022, 3291-3301 |
| 4519331 | CIF | C17 H14 O4 | P 21 21 21 | 6.37486; 13.7162; 15.6002 90; 90; 90 | 1364.06 | Li, Xuetong; Villar-Yanez, Alba; Ngassam Tounzoua, Charlene; Benet-Buchholz, Jordi; Grignard, Bruno; Bo, Carles; Detrembleur, Christophe; Kleij, Arjan W. Cascade Transformation of Carbon Dioxide and Alkyne-1,n-diols into Densely Substituted Cyclic Carbonates ACS Catalysis, 2022, 2854-2860 |
| 4519332 | CIF | C11 H10 O4 | P 1 21/c 1 | 7.4832; 16.3724; 8.0317 90; 109.335; 90 | 928.53 | Li, Xuetong; Villar-Yanez, Alba; Ngassam Tounzoua, Charlene; Benet-Buchholz, Jordi; Grignard, Bruno; Bo, Carles; Detrembleur, Christophe; Kleij, Arjan W. Cascade Transformation of Carbon Dioxide and Alkyne-1,n-diols into Densely Substituted Cyclic Carbonates ACS Catalysis, 2022, 2854-2860 |
| 4519333 | CIF | C7 H10 O4 | P 1 21/n 1 | 6.8234; 9.9156; 10.9182 90; 93.902; 90 | 737 | Li, Xuetong; Villar-Yanez, Alba; Ngassam Tounzoua, Charlene; Benet-Buchholz, Jordi; Grignard, Bruno; Bo, Carles; Detrembleur, Christophe; Kleij, Arjan W. Cascade Transformation of Carbon Dioxide and Alkyne-1,n-diols into Densely Substituted Cyclic Carbonates ACS Catalysis, 2022, 2854-2860 |
| 4519334 | CIF | C20 H45 B F4 N2 Ni O P2 | P -1 | 9.7943; 10.8646; 13.9683 100.077; 105.481; 107.418 | 1313.2 | Gunasekara, Thilina; Tong, Yicheng; Speelman, Amy L.; Erickson, Jeremy D.; Appel, Aaron M.; Hall, Michael B.; Wiedner, Eric S. Role of High-Spin Species and Pendant Amines in Electrocatalytic Alcohol Oxidation by a Nickel Phosphine Complex ACS Catalysis, 2022, 2729-2740 |
| 4519335 | CIF | C32 H57.25 B2 F8 N2.5 Ni P2 | P -1 | 12.173; 20.1578; 33.802 106.291; 97.137; 92.346 | 7874.6 | Gunasekara, Thilina; Tong, Yicheng; Speelman, Amy L.; Erickson, Jeremy D.; Appel, Aaron M.; Hall, Michael B.; Wiedner, Eric S. Role of High-Spin Species and Pendant Amines in Electrocatalytic Alcohol Oxidation by a Nickel Phosphine Complex ACS Catalysis, 2022, 2729-2740 |
| 4519336 | CIF | C25 H36 Fe N2 Si | C m c e | 18.7305; 14.4274; 17.8945 90; 90; 90 | 4835.7 | Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L. Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes ACS Catalysis, 2022, 2979-2985 |
| 4519337 | CIF | C37 H57 B Fe N2 | P n m a | 19.2143; 20.1989; 9.3011 90; 90; 90 | 3609.83 | Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L. Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes ACS Catalysis, 2022, 2979-2985 |
| 4519338 | CIF | C29 H41 B Fe N2 | C 1 2/c 1 | 18.1664; 12.4604; 23.9387 90; 94.823; 90 | 5399.59 | Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L. Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes ACS Catalysis, 2022, 2979-2985 |
| 4519339 | CIF | C42 H52 Fe2 N4 | P n m a | 21.9805; 16.4818; 10.6196 90; 90; 90 | 3847.25 | Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L. Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes ACS Catalysis, 2022, 2979-2985 |
| 4519340 | CIF | C42 H50 Fe N4 | P 1 21/n 1 | 10.9682; 17.6194; 18.8246 90; 95.32; 90 | 3622.24 | Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L. Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes ACS Catalysis, 2022, 2979-2985 |
| 4519341 | CIF | C21 H19 Fe N O6 | P 1 21 1 | 7.6105; 8.0429; 15.2788 90; 101.481; 90 | 916.51 | Lv, Xiaokang; Xu, Jun; Sun, Cuiyun; Su, Fen; Cai, Yuanlin; Jin, Zhichao; Chi, Yonggui Robin Access to Planar Chiral Ferrocenes via N-Heterocyclic Carbene-Catalyzed Enantioselective Desymmetrization Reactions ACS Catalysis, 2022, 12, 2706-2713 |
| 4519342 | CIF | C16 H17 N3 O3 | P 1 21/n 1 | 11.5366; 9.0589; 30.02 90; 98.806; 90 | 3100.4 | Wang, Chang-An; Rahman, Md. Mahbubur; Bisz, Elwira; Dziuk, Błażej; Szostak, Roman; Szostak, Michal Palladium-NHC (NHC = N-heterocyclic Carbene)-Catalyzed Suzuki–Miyaura Cross-Coupling of Alkyl Amides ACS Catalysis, 2022, 12, 2426-2433 |
| 4519343 | CIF | C55 H52 Br Co N2 P2 | P 1 21/c 1 | 10.276; 26.264; 17.399 90; 103.191; 90 | 4571.9 | Jheng, Nai-Yuan; Ishizaka, Yusuke; Naganawa, Yuki; Minami, Yasunori; Sekiguchi, Akira; Iizuka, Kosuke; Nakajima, Yumiko Radical Hydrodehalogenation of Aryl Halides with H2 Catalyzed by a Phenanthroline-Based PNNP Cobalt(I) Complex ACS Catalysis, 2022, 12, 2320-2329 |
| 4519375 | CIF | C15 H17 N3 O | P -1 | 7.688; 9.1076; 10.6827 95.94; 109.12; 110.396 | 642.108 | Khake, Shrikant M.; Chatani, Naoto Rhodium(III)-Catalyzed Oxidative C–H Alkylation of Aniline Derivatives with Allylic Alcohols To Produce β-Aryl Ketones ACS Catalysis, 2022, 4394-4401 |
| 4519376 | CIF | C32 H36 F6 N3 P Pd S | C 1 c 1 | 20.3; 10.543; 15.816 90; 109.54; 90 | 3190 | Alberoni, Chiara; D’Alterio, Massimo C.; Balducci, Gabriele; Immirzi, Barbara; Polentarutti, Maurizio; Pellecchia, Claudio; Milani, Barbara Tunable “In-Chain” and “At the End of the Branches” Methyl Acrylate Incorporation in the Polyolefin Skeleton through Pd(II) Catalysis ACS Catalysis, 2022, 12, 3430-3443 |
| 4519377 | CIF | C34.5 H41 Cl F6 N3 P Pd S | P 1 21/c 1 | 12.153; 28.037; 21.613 90; 94.356; 90 | 7343 | Alberoni, Chiara; D’Alterio, Massimo C.; Balducci, Gabriele; Immirzi, Barbara; Polentarutti, Maurizio; Pellecchia, Claudio; Milani, Barbara Tunable “In-Chain” and “At the End of the Branches” Methyl Acrylate Incorporation in the Polyolefin Skeleton through Pd(II) Catalysis ACS Catalysis, 2022, 12, 3430-3443 |
| 4519378 | CIF | C19 H21 Bi F3 N | P 1 21/c 1 | 12.9594; 9.2852; 14.7567 90; 91.483; 90 | 1775.09 | Louis-Goff, Thomas; Trinh, Huu Vinh; Chen, Eileen; Rheingold, Arnold L.; Ehm, Christian; Hyvl, Jakub Stabilizing Effect of Pre-equilibria: A Trifluoromethyl Complex as a CF2 Reservoir in Catalytic Olefin Difluorocarbenation ACS Catalysis, 2022, 12, 3719-3730 |
| 4519379 | CIF | C15 H14 Bi F3 | P b c a | 17.435; 9.004; 18.23 90; 90; 90 | 2861.8 | Louis-Goff, Thomas; Trinh, Huu Vinh; Chen, Eileen; Rheingold, Arnold L.; Ehm, Christian; Hyvl, Jakub Stabilizing Effect of Pre-equilibria: A Trifluoromethyl Complex as a CF2 Reservoir in Catalytic Olefin Difluorocarbenation ACS Catalysis, 2022, 12, 3719-3730 |
| 4519380 | CIF | C16 H14 Bi F3 | P b c a | 9.7284; 9.7063; 30.3122 90; 90; 90 | 2862.3 | Louis-Goff, Thomas; Trinh, Huu Vinh; Chen, Eileen; Rheingold, Arnold L.; Ehm, Christian; Hyvl, Jakub Stabilizing Effect of Pre-equilibria: A Trifluoromethyl Complex as a CF2 Reservoir in Catalytic Olefin Difluorocarbenation ACS Catalysis, 2022, 12, 3719-3730 |
| 4519381 | CIF | C23 H22 O | P 1 21/c 1 | 6.1078; 23.368; 12.0794 90; 100.277; 90 | 1696.4 | Xue, Sijing; Cristòfol, Àlex; Limburg, Bart; Zeng, Qian; Kleij, Arjan W. Dual Cobalt/Organophotoredox Catalysis for Diastereo- and Regioselective 1,2-Difunctionalization of 1,3-Diene Surrogates Creating Quaternary Carbon Centers ACS Catalysis, 2022, 12, 3651-3659 |
| 4519382 | CIF | C20 H26 O2 | P -1 | 10.2627; 13.449; 14.5521 115.316; 101.172; 101.362 | 1690.21 | Xue, Sijing; Cristòfol, Àlex; Limburg, Bart; Zeng, Qian; Kleij, Arjan W. Dual Cobalt/Organophotoredox Catalysis for Diastereo- and Regioselective 1,2-Difunctionalization of 1,3-Diene Surrogates Creating Quaternary Carbon Centers ACS Catalysis, 2022, 12, 3651-3659 |
| 4519383 | CIF | C33 H50 N3 Ni O5 P | P 1 21/c 1 | 16.5365; 15.9821; 12.9995 90; 97.271; 90 | 3408 | Takahashi, Kohei; Sakurazawa, Yuji; Iwai, Asaki; Iwasawa, Nobuharu Catalytic Synthesis of a Methylmalonate Salt from Ethylene and Carbon Dioxide through Photoinduced Activation and Photoredox-Catalyzed Reduction of Nickelalactones ACS Catalysis, 2022, 12, 3776-3781 |
| 4519384 | CIF | C31 H49 Au F6 P Sb | P -1 | 8.7636; 13.6876; 28.412 86.489; 89.678; 77.831 | 3325.2 | Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts ACS Catalysis, 2022, 12, 4227-4241 |
| 4519385 | CIF | C63 H81 Au F3 N2 O P Sb0.5 | P -1 | 15.519; 15.638; 17.4595 68.369; 80.53; 65.864 | 3594 | Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts ACS Catalysis, 2022, 12, 4227-4241 |
| 4519386 | CIF | C46 H67 Au Cl P | P 21 21 21 | 12.6694; 18.1472; 18.894 90; 90; 90 | 4344 | Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts ACS Catalysis, 2022, 12, 4227-4241 |
| 4519387 | CIF | C53 H82 Au Cl4 F6 P Sb | C 1 2/c 1 | 33.253; 13.3849; 26.02 90; 93.079; 90 | 11564.5 | Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts ACS Catalysis, 2022, 12, 4227-4241 |
| 4519388 | CIF | C126 H159 Au2 F12 P2 Sb2 | P 1 21/n 1 | 13.714; 51.58; 18.755 90; 99.2; 90 | 13096 | Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts ACS Catalysis, 2022, 12, 4227-4241 |
| 4519389 | CIF | C120 H165 Au3 Cl3 P3 | C 1 2/c 1 | 54.233; 14.371; 32.268 90; 102.216; 90 | 24580 | Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts ACS Catalysis, 2022, 12, 4227-4241 |
| 4519390 | CIF | C32 H39 Au F6 P Sb | P 1 21/n 1 | 11.3949; 16.7262; 18.567 90; 104.78; 90 | 3421.7 | Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts ACS Catalysis, 2022, 12, 4227-4241 |
| 4519391 | CIF | C66 H90 Au F6 N P Sb | P -1 | 15.3509; 15.473; 19.0096 95.2651; 103.141; 117.913 | 3781 | Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts ACS Catalysis, 2022, 12, 4227-4241 |
| 4519392 | CIF | C53 H59 Cl2 Co N4 O2 Zn | P -1 | 10.7552; 11.5789; 21.0514 103.464; 93.118; 103.01 | 2468.27 | de Vries, Folkert; Otten, Edwin Reversible On/Off Switching of Lactide Cyclopolymerization with a Redox-Active Formazanate Ligand ACS Catalysis, 2022, 12, 4125-4130 |
| 4519393 | CIF | C59 H52 N8 O2 Zn2 | P -1 | 9.1508; 10.8692; 14.2352 80.73; 73.248; 67.252 | 1248.34 | de Vries, Folkert; Otten, Edwin Reversible On/Off Switching of Lactide Cyclopolymerization with a Redox-Active Formazanate Ligand ACS Catalysis, 2022, 12, 4125-4130 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!