Crystallography Open Database
Search results
Result: there are 206 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' volume of publication is 6
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
4513952 | CIF | C42 H57 Cl3 N4 Ni O | P n a 21 | 12.7494; 28.039; 11.5771 90; 90; 90 | 4138.6 | Pu, Xinghui; Hu, Jiefeng; Zhao, Yue; Shi, Zhuangzhi Nickel-Catalyzed Decarbonylative Borylation and Silylation of Esters ACS Catalysis, 2016, 6, 6692 |
4513953 | CIF | C24 H55 Cl P2 Pd | C 1 2/c 1 | 45.941; 8.7162; 14.6019 90; 102.274; 90 | 5713.4 | Hu, Yue; Shen, Zhiqiang; Huang, Hanmin Palladium-Catalyzed Intramolecular Hydroaminocarbonylation to Lactams: Additive-Free Protocol Initiated by Palladium Hydride ACS Catalysis, 2016, 6, 6785 |
4513954 | CIF | C10 H8 N O2 | P 1 21/c 1 | 4.5967; 12.2704; 15.393 90; 94.473; 90 | 865.6 | Hu, Yue; Shen, Zhiqiang; Huang, Hanmin Palladium-Catalyzed Intramolecular Hydroaminocarbonylation to Lactams: Additive-Free Protocol Initiated by Palladium Hydride ACS Catalysis, 2016, 6, 6785 |
4513955 | CIF | C16 H15 N O | P 1 | 4.6759; 11.637; 12.148 101.704; 94.481; 97.981 | 637.1 | Hu, Yue; Shen, Zhiqiang; Huang, Hanmin Palladium-Catalyzed Intramolecular Hydroaminocarbonylation to Lactams: Additive-Free Protocol Initiated by Palladium Hydride ACS Catalysis, 2016, 6, 6785 |
4513956 | CIF | C25 H24 Br O2 P | P 1 21/n 1 | 14.349; 9.776; 16.959 90; 108.332; 90 | 2258 | Toda, Yasunori; Komiyama, Yutaka; Kikuchi, Ayaka; Suga, Hiroyuki Tetraarylphosphonium Salt-Catalyzed Carbon Dioxide Fixation at Atmospheric Pressure for the Synthesis of Cyclic Carbonates ACS Catalysis, 2016, 6, 6906 |
4513960 | CIF | C11 H13 N O3 S | P 1 21/c 1 | 9.45565; 18.07717; 13.18336 90; 103.903; 90 | 2187.43 | Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination ACS Catalysis, 2016, 6, 7183 |
4513961 | CIF | C17 H18 N2 O4 S | P 1 21/c 1 | 11.81121; 8.41417; 16.5698 90; 90.8215; 90 | 1646.56 | Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination ACS Catalysis, 2016, 6, 7183 |
4513962 | CIF | C19 H17 N O4 S | P 1 21/c 1 | 10.28582; 9.52978; 16.564 90; 90.4024; 90 | 1623.59 | Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination ACS Catalysis, 2016, 6, 7183 |
4513963 | CIF | C18 H19 N O4 S | P 21 21 21 | 5.45149; 15.7094; 38.6948 90; 90; 90 | 3313.81 | Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination ACS Catalysis, 2016, 6, 7183 |
4513970 | CIF | C84 H84 Cd2 N4 O16 V2 | P 2 2 21 | 34.388; 34.853; 13.3846 90; 90; 90 | 16041.8 | Zhu, Chengfeng; Xia, Qingchun; Chen, Xu; Liu, Yan; Du, Xia; Cui, Yong Chiral Metal‒Organic Framework as a Platform for Cooperative Catalysis in Asymmetric Cyanosilylation of Aldehydes ACS Catalysis, 2016, 6, 7590 |
4513971 | CIF | C84 H84 Cd2 Cu N4 O16 V | P 2 2 21 | 33.9506; 35.3214; 13.4377 90; 90; 90 | 16114.3 | Zhu, Chengfeng; Xia, Qingchun; Chen, Xu; Liu, Yan; Du, Xia; Cui, Yong Chiral Metal‒Organic Framework as a Platform for Cooperative Catalysis in Asymmetric Cyanosilylation of Aldehydes ACS Catalysis, 2016, 6, 7590 |
4513972 | CIF | C22 H16 Cl N | P 21 21 21 | 6.0503; 14.698; 18.444 90; 90; 90 | 1640.2 | Kim, Ju Hyun; Greßies, Steffen; Boultadakis-Arapinis, Mélissa; Daniliuc, Constantin; Glorius, Frank Rh(I)/NHC*-Catalyzed Site- and Enantioselective Functionalization of C(sp3)‒H Bonds Toward Chiral Triarylmethanes ACS Catalysis, 2016, 6, 7652 |
4513973 | CIF | C23 H19 N O | P 21 21 21 | 5.7336; 16.8181; 17.4381 90; 90; 90 | 1681.53 | Kim, Ju Hyun; Greßies, Steffen; Boultadakis-Arapinis, Mélissa; Daniliuc, Constantin; Glorius, Frank Rh(I)/NHC*-Catalyzed Site- and Enantioselective Functionalization of C(sp3)‒H Bonds Toward Chiral Triarylmethanes ACS Catalysis, 2016, 6, 7652 |
4513974 | CIF | C45 H37 Cl O P2 Pd | P 1 21/n 1 | 11.0213; 23.615; 16.094 90; 105.537; 90 | 4035.7 | Chatterjee, Anamitra; Hopen Eliasson, Sondre H.; Törnroos, Karl W.; Jensen, Vidar R. Palladium Precatalysts for Decarbonylative Dehydration of Fatty Acids to Linear Alpha Olefins ACS Catalysis, 2016, 6, 7784 |
4513975 | CIF | C11 H13 Br O2 S | P 1 21 1 | 9.6991; 9.587; 13.7942 90; 105.113; 90 | 1238.29 | Zhou, Pengfei; Cai, Yunfei; Zhong, Xia; Luo, Weiwei; Kang, Tengfei; Li, Jun; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming Catalytic Asymmetric Intra- and Intermolecular Haloetherification of Enones: An Efficient Approach to (−)-Centrolobine ACS Catalysis, 2016, 6, 7778 |
4513976 | CIF | C20 H21 Br O2 | P 1 21 1 | 5.4678; 8.6283; 18.6625 90; 91.41; 90 | 880.19 | Zhou, Pengfei; Cai, Yunfei; Zhong, Xia; Luo, Weiwei; Kang, Tengfei; Li, Jun; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming Catalytic Asymmetric Intra- and Intermolecular Haloetherification of Enones: An Efficient Approach to (−)-Centrolobine ACS Catalysis, 2016, 6, 7778 |
4513977 | CIF | C16 H15 Br O2 | P 1 21 1 | 8.8973; 6.9477; 12.2822 90; 100.56; 90 | 746.37 | Zhou, Pengfei; Cai, Yunfei; Zhong, Xia; Luo, Weiwei; Kang, Tengfei; Li, Jun; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming Catalytic Asymmetric Intra- and Intermolecular Haloetherification of Enones: An Efficient Approach to (−)-Centrolobine ACS Catalysis, 2016, 6, 7778 |
4513979 | CIF | C51 H71 Cu Fe N2 O3 Si2 | P -1 | 10.7287; 11.7933; 20.5611 100.143; 97.14; 93.382 | 2532.29 | Chakraborty, Arundhoti; Kinney, R. Garrison; Krause, Jeanette A.; Guan, Hairong Cooperative Iron‒Oxygen‒Copper Catalysis in the Reduction of Benzaldehyde under Water-Gas Shift Reaction Conditions ACS Catalysis, 2016, 6, 7855 |
4513980 | CIF | C52 H63 Cu D6 Fe N2 O3 | P 1 21/n 1 | 11.9549; 10.1772; 40.3744 90; 95.356; 90 | 4890.8 | Chakraborty, Arundhoti; Kinney, R. Garrison; Krause, Jeanette A.; Guan, Hairong Cooperative Iron‒Oxygen‒Copper Catalysis in the Reduction of Benzaldehyde under Water-Gas Shift Reaction Conditions ACS Catalysis, 2016, 6, 7855 |
4513981 | CIF | C34 H51 Fe N2 P | C 1 2/c 1 | 20.4853; 14.08083; 22.6949 90; 95.5664; 90 | 6515.47 | Espinal-Viguri, Maialen; King, Andrew K.; Lowe, John P.; Mahon, Mary F.; Webster, Ruth L. Hydrophosphination of Unactivated Alkenes and Alkynes Using Iron(II): Catalysis and Mechanistic Insight ACS Catalysis, 2016, 6, 7892 |
4513983 | CIF | C60.38 H57 Cl1.75 N4 O9 | C 1 2 1 | 33.03; 14.5141; 23.743 90; 106.097; 90 | 10936.1 | Ma, Chao; Huang, Yuan; Zhao, Yu Stereoselective 1,6-Conjugate Addition/Annulation ofpara-Quinone Methides with Vinyl Epoxides/Cyclopropanes ACS Catalysis, 2016, 6, 6408 |
4513984 | CIF | C24 H24 Cl N3 O2 | P 21 21 21 | 10.405; 14.2652; 14.6935 90; 90; 90 | 2180.95 | Bertuzzi, Giulio; Sinisi, Alessandro; Caruana, Lorenzo; Mazzanti, Andrea; Fochi, Mariafrancesca; Bernardi, Luca Catalytic Enantioselective Addition of Indoles to ActivatedN-Benzylpyridinium Salts: Nucleophilic Dearomatization of Pyridines with Unusual C-4 Regioselectivity ACS Catalysis, 2016, 6, 6473 |
4513985 | CIF | C16 H24 I2 N8 Ni | P -1 | 8.3462; 8.4556; 8.796 113.763; 101.75; 91.594 | 552.02 | Lu, Zhiyao; Williams, Travis J. Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions ACS Catalysis, 2016, 6, 6670 |
4513986 | CIF | C16 H24 B2 N8 Ni | P 1 21/n 1 | 6.8569; 16.0355; 8.668 90; 98.926; 90 | 941.54 | Lu, Zhiyao; Williams, Travis J. Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions ACS Catalysis, 2016, 6, 6670 |
4516694 | CIF | C24 H25 N3 O2 | P 21 21 21 | 5.1839; 17.316; 23.0197 90; 90; 90 | 2066.35 | Qureshi, Zafar; Kim, Jung Yun; Bruun, Theodora; Lam, Heather; Lautens, Mark Cu/Pd-Catalyzed Synthesis of Fully Decorated Polycyclic Triazoles: Introducing C‒H Functionalization to Multicomponent Multicatalytic Reactions ((MC)2R) ACS Catalysis, 2016, 6, 4946 |
4516695 | CIF | C62 H81 O5 Si Y | P -1 | 12.0346; 14.3451; 16.9307 101.182; 90.368; 96 | 2850.61 | Xu, Tie-Qi; Yang, Guan-Wen; Lu, Xiao-Bing Highly Isotactic and High-Molecular-Weight Poly(2-vinylpyridine) by Coordination Polymerization with Yttrium Bis(phenolate) Ether Catalysts ACS Catalysis, 2016, 6, 4907 |
4516696 | CIF | C76 H87 Co N6 O2 Si2 | P 1 21 1 | 12.1686; 15.7163; 17.6104 90; 100.762; 90 | 3308.67 | Ibrahim, Abdulrahman D.; Entsminger, Steven W.; Zhu, Lingyang; Fout, Alison R. A Highly Chemoselective Cobalt Catalyst for the Hydrosilylation of Alkenes using Tertiary Silanes and Hydrosiloxanes ACS Catalysis, 2016, 6, 3589 |
4516697 | CIF | C168 H156 Cl4 N20 P4 Ru4 | P -4 | 19.0698; 19.0698; 9.8294 90; 90; 90 | 3574.5 | Hale, Lillian V. A.; Malakar, Tanmay; Tseng, Kuei-Nin T.; Zimmerman, Paul M.; Paul, Ankan; Szymczak, Nathaniel K. The Mechanism of Acceptorless Amine Double Dehydrogenation byN,N,N-Amide Ruthenium(II) Hydrides: A Combined Experimental and Computational Study ACS Catalysis, 2016, 6, 4799 |
4516698 | CIF | C184 H164 N24 P4 Ru4 | P 1 21/n 1 | 12.9692; 16.8857; 17.268 90; 90.769; 90 | 3781.2 | Hale, Lillian V. A.; Malakar, Tanmay; Tseng, Kuei-Nin T.; Zimmerman, Paul M.; Paul, Ankan; Szymczak, Nathaniel K. The Mechanism of Acceptorless Amine Double Dehydrogenation byN,N,N-Amide Ruthenium(II) Hydrides: A Combined Experimental and Computational Study ACS Catalysis, 2016, 6, 4799 |
4516699 | CIF | C23 H21 Cl N O2 | P 21 21 21 | 9.5413; 12.5331; 16.6646 90; 90; 90 | 1992.8 | Zhang, Ming; Sun, Wangsheng; Zhu, Gongming; Bao, Guangjun; Zhang, Bangzhi; Hong, Liang; Li, Min; Wang, Rui Enantioselective Dearomative Arylation of Isoquinolines ACS Catalysis, 2016, 6, 5290 |
4516700 | CIF | C38 H27 N O | P -1 | 11.23; 12.753; 20.255 85.686; 80.147; 74.114 | 2747.7 | Li, Xingwei; Yang, Xifa; Qi, Zisong Synthesis of Cyclopentadienols by Rhodium-Catalyzed C‒H Activation of 8-Formylquinolines and [2+2+1] Carbocyclization with Alkynes ACS Catalysis, 2016, 6, 6372 |
4516701 | CIF | C26 H35 O5 P | P 1 21/n 1 | 9.4338; 11.4458; 23.1231 90; 97.4269; 90 | 2475.83 | Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins ACS Catalysis, 2016, 6, 7554 |
4516702 | CIF | C7 H5 O4 P | P 1 21/n 1 | 4.5729; 14.1363; 11.7191 90; 100.631; 90 | 744.57 | Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins ACS Catalysis, 2016, 6, 7554 |
4516703 | CIF | C48 H53 O12 P2 Rh | P -1 | 10.8599; 15.1287; 15.5406 102.742; 101.78; 100.56 | 2367.22 | Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins ACS Catalysis, 2016, 6, 7554 |
4516704 | CIF | C18 H19 O5 P | P 1 21/c 1 | 7.9973; 11.7658; 18.4161 90; 93.7246; 90 | 1729.2 | Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins ACS Catalysis, 2016, 6, 7554 |
4516705 | CIF | C24 H27 N O4 S | P -1 | 8.6854; 11.1584; 12.3533 110.734; 96.486; 95.657 | 1100.08 | Teske, Johannes; Plietker, Bernd A Redox-Neutral Fe-Catalyzed Cycloisomerization of Enyne Acetates ACS Catalysis, 2016, 6, 7148 |
4516706 | CIF | C39 H32 B Cl2 F4 Fe N O3 P2 | P 1 21/n 1 | 16.7984; 13.6152; 16.9579 90; 103.928; 90 | 3764.5 | Teske, Johannes; Plietker, Bernd A Redox-Neutral Fe-Catalyzed Cycloisomerization of Enyne Acetates ACS Catalysis, 2016, 6, 7148 |
4516707 | CIF | C40 H34 B Cl3 F4 Fe N2 O2 P2 | P -1 | 12.2695; 12.9467; 14.1404 78.636; 69.027; 83.561 | 2054.1 | Teske, Johannes; Plietker, Bernd A Redox-Neutral Fe-Catalyzed Cycloisomerization of Enyne Acetates ACS Catalysis, 2016, 6, 7148 |
4516708 | CIF | C18 H21 F3 N4 Ni O3 S | P 1 21/n 1 | 6.9941; 17.4234; 17.1188 90; 98.8919; 90 | 2061.04 | Wei, Yingfei; Liu, Shi-Xia; Mueller-Bunz, Helge; Albrecht, Martin Synthesis of Triazolylidene Nickel Complexes and Their Catalytic Application in Selective Aldehyde Hydrosilylation ACS Catalysis, 2016, 6, 8192 |
4516709 | CIF | C15 H16 I N3 Ni O | P 1 21/c 1 | 13.4405; 10.5724; 11.268 90; 93.709; 90 | 1597.81 | Wei, Yingfei; Liu, Shi-Xia; Mueller-Bunz, Helge; Albrecht, Martin Synthesis of Triazolylidene Nickel Complexes and Their Catalytic Application in Selective Aldehyde Hydrosilylation ACS Catalysis, 2016, 6, 8192 |
4516710 | CIF | C18 H21 F3 N4 Ni O3 S | C 1 2/c 1 | 14.416; 11.0236; 25.901 90; 98.801; 90 | 4067.62 | Wei, Yingfei; Liu, Shi-Xia; Mueller-Bunz, Helge; Albrecht, Martin Synthesis of Triazolylidene Nickel Complexes and Their Catalytic Application in Selective Aldehyde Hydrosilylation ACS Catalysis, 2016, 6, 8192 |
4516711 | CIF | C40 H46 Fe N4 O3 | P b c n | 24.0256; 13.1262; 22.3213 90; 90; 90 | 7039.4 | MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P. Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration ACS Catalysis, 2016, 6, 7217 |
4516712 | CIF | C150 H162 F12 Fe4 N12 O6 P2 | P 21 21 2 | 22.7811; 22.9453; 13.3383 90; 90; 90 | 6972.2 | MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P. Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration ACS Catalysis, 2016, 6, 7217 |
4516713 | CIF | C36 H36 Fe N6 O6 | P 1 21/n 1 | 8.0949; 23.7481; 17.1961 90; 97.427; 90 | 3278.02 | MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P. Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration ACS Catalysis, 2016, 6, 7217 |
4516714 | CIF | C42 H50 Fe N4 O5 | P 1 21 1 | 15.49431; 16.23501; 15.84297 90; 107.287; 90 | 3805.28 | MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P. Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration ACS Catalysis, 2016, 6, 7217 |
4516715 | CIF | C16 H15 N3 O4 | P 1 21/c 1 | 10.2029; 19.4064; 7.7687 90; 91.548; 90 | 1537.7 | Prieto, Alexis; Bouyssi, Didier; Monteiro, Nuno Copper-Catalyzed Double C‒H Alkylation of Aldehyde-Derived N,N-Dialkylhydrazones with Polyhalomethanes: Flexible Access to 4-Functionalized Pyrazoles ACS Catalysis, 2016, 6, 7197 |
4516716 | CIF | C33 H22 Cl3 N4 Ni O2 | P -1 | 9.0058; 9.3091; 17.9195 79.797; 80.388; 89.868 | 1457.21 | He, Zhiqi; Huang, Yong Diverting C‒H Annulation Pathways: Nickel-Catalyzed Dehydrogenative Homologation of Aromatic Amides ACS Catalysis, 2016, 6, 7814 |
4516717 | CIF | C45 H29 F4 N2 O2 | C 1 2 1 | 29.3161; 8.847; 16.2475 90; 122.222; 90 | 3564.9 | He, Zhiqi; Huang, Yong Diverting C‒H Annulation Pathways: Nickel-Catalyzed Dehydrogenative Homologation of Aromatic Amides ACS Catalysis, 2016, 6, 7814 |
4516718 | CIF | C19 H22 O5 S | P 21 21 21 | 5.6343; 17.0439; 18.3976 90; 90; 90 | 1766.73 | Gutiérrez-Bonet, Álvaro; Tellis, John C.; Matsui, Jennifer K.; Vara, Brandon A.; Molander, Gary A. 1,4-Dihydropyridines as Alkyl Radical Precursors: Introducing the Aldehyde Feedstock to Nickel/Photoredox Dual Catalysis. ACS catalysis, 2016, 6, 8004-8008 |
4516719 | CIF | C22 H40 Cl2 N2 Ni O5 | C 1 2/c 1 | 13.0843; 30.4; 6.6223 90; 92.47; 90 | 2631.7 | Gutiérrez-Bonet, Álvaro; Tellis, John C.; Matsui, Jennifer K.; Vara, Brandon A.; Molander, Gary A. 1,4-Dihydropyridines as Alkyl Radical Precursors: Introducing the Aldehyde Feedstock to Nickel/Photoredox Dual Catalysis. ACS catalysis, 2016, 6, 8004-8008 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!