Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 4513880 | CIF | C26 H20 N2 O | P -1 | 12.5358; 12.9306; 14.235 66.91; 68.341; 69.341 | 1913.41 | Kumar, Dinesh; Vemula, Sandeep R.; Cook, Gregory R. Merging C‒H Bond Functionalization with Amide Alcoholysis: En Route to 2-Aminopyridines ACS Catalysis, 2016, 6, 3531 |
| 4513881 | CIF | C27 H20 Br N O3 S | P 1 21/c 1 | 12.857; 15.123; 12.073 90; 102.04; 90 | 2295.79 | Sun, Jiaqiong; Zheng, Guangfan; Xiong, Tao; Zhang, Qiao; Zhao, Jinbo; Li, Yan; Zhang, Qian Copper-Catalyzed Hydroxyl-Directed Aminoarylation of Alkynes ACS Catalysis, 2016, 6, 3674 |
| 4513882 | CIF | C35 H30 Br N3 O2 | P -1 | 10.6203; 11.0296; 13.8669 102.003; 107.216; 99.873 | 1469.68 | Wei, Guo; Zhang, Chenhao; Bureš, Filip; Ye, Xinyi; Tan, Choon-Hong; Jiang, Zhiyong Enantioselective Aerobic Oxidative C(sp3)‒H Olefination of Amines via Cooperative Photoredox and Asymmetric Catalysis ACS Catalysis, 2016, 6, 3708 |
| 4513883 | CIF | C27 H26 O3 | P 1 21/c 1 | 14.1082; 18.267; 8.1718 90; 96.84; 90 | 2091 | Yan, Jianming; Yoshikai, Naohiko Cobalt-Catalyzed Arylative Cyclization of Acetylenic Esters and Ketones with Arylzinc Reagents through 1,4-Cobalt Migration ACS Catalysis, 2016, 6, 3738 |
| 4513884 | CIF | C24 H21 N O2 | P 1 21/c 1 | 12.787; 12.7131; 12.427 90; 114.445; 90 | 1839.1 | Li, Bin; Xu, Hong; Wang, Huanan; Wang, Baiquan Rhodium-Catalyzed Annulation of Tertiary AnilineN-Oxides toN-Alkylindoles: Regioselective C‒H Activation, Oxygen-Atom Transfer, andN-Dealkylative Cyclization ACS Catalysis, 2016, 6, 3856 |
| 4513885 | CIF | C22 H18 Br N | P 1 21/n 1 | 9.67; 19.62; 9.9545 90; 112.567; 90 | 1744 | Li, Bin; Xu, Hong; Wang, Huanan; Wang, Baiquan Rhodium-Catalyzed Annulation of Tertiary AnilineN-Oxides toN-Alkylindoles: Regioselective C‒H Activation, Oxygen-Atom Transfer, andN-Dealkylative Cyclization ACS Catalysis, 2016, 6, 3856 |
| 4513886 | CIF | C14 H16 F3 N3 O3 | P 21 21 21 | 4.8832; 15.6825; 19.696 90; 90; 90 | 1508.34 | Barron, Benedict J.; Wong, Wing-Tak; Chiu, Pauline; Hii, King Kuok “Goldilocks Effect” of Water in Lewis-Brønsted Acid and Base Catalysis ACS Catalysis, 2016, 6, 4189 |
| 4513887 | CIF | C20 H13 N O2 | P b c n | 11.5615; 11.966; 21.75 90; 90; 90 | 3009 | Abdellaoui, Fatma; Youssef, Chiraz; Ben Ammar, Hamed; Roisnel, Thierry; Soulé, Jean-François; Doucet, Henri Palladium-Catalyzed Regioselective C‒H Bond Arylations of Benzoxazoles and Benzothiazoles at the C7 Position ACS Catalysis, 2016, 6, 4248 |
| 4513895 | CIF | C20 H24 Cl2 Ir N3 | P 21 21 21 | 9.263; 13.429; 17.935 90; 90; 90 | 2231 | Bucci, Alberto; Menendez Rodriguez, Gabriel; Bellachioma, Gianfranco; Zuccaccia, Cristiano; Poater, Albert; Cavallo, Luigi; Macchioni, Alceo An Alternative Reaction Pathway for Iridium-Catalyzed Water Oxidation Driven by Cerium Ammonium Nitrate (CAN) ACS Catalysis, 2016, 6, 4559 |
| 4513899 | CIF | C69 H64 Cl2 Co F51 N7 O5 | P 1 21/c 1 | 24.5991; 14.5605; 25.6393 90; 106.121; 90 | 8822.2 | Chen, Ba-Tian; Morlanés, Natalia; Adogla, Enoch; Takanabe, Kazuhiro; Rodionov, Valentin O. An Efficient and Stable Hydrophobic Molecular Cobalt Catalyst for Water Electro-oxidation at Neutral pH ACS Catalysis, 2016, 6, 4647 |
| 4513900 | CIF | C29 H20 N O3 S | P -1 | 9.8908; 10.8195; 12.6228 82.7016; 87.4478; 81.7877 | 1325.65 | Chen, Zi-Sheng; Huang, Liang-Zhu; Jeon, Hyun Ji; Xuan, Zi; Lee, Sang-gi Cooperative Pd(0)/Rh(II) Dual Catalysis: Interceptive Capturing of π-Allyl Pd(II) Complexes with α-Imino Rh(II) Carbenoids ACS Catalysis, 2016, 6, 4914 |
| 4513901 | CIF | C25 H22 N2 O6 S | P -1 | 6.3051; 8.242; 21.9792 90.797; 96.108; 96.816 | 1127.27 | Chen, Zi-Sheng; Huang, Liang-Zhu; Jeon, Hyun Ji; Xuan, Zi; Lee, Sang-gi Cooperative Pd(0)/Rh(II) Dual Catalysis: Interceptive Capturing of π-Allyl Pd(II) Complexes with α-Imino Rh(II) Carbenoids ACS Catalysis, 2016, 6, 4914 |
| 4513903 | CIF | C51 H66 Cl2 N2 O2 Ti | P 1 21/c 1 | 13.4223; 15.5169; 23.9951 90; 104.683; 90 | 4834.3 | Pletcher, Paul D.; Switzer, Jeffrey M.; Steelman, D. Keith; Medvedev, Grigori A.; Delgass, W. Nicholas; Caruthers, James M.; Abu-Omar, Mahdi M. Quantitative Comparative Kinetics of 1-Hexene Polymerization across Group IV Bis-Phenolate Catalysts ACS Catalysis, 2016, 6, 5138 |
| 4513904 | CIF | C20 H24 I Ir N2 | P 1 21/c 1 | 13.683; 8.7527; 16.3494 90; 102.176; 90 | 1914 | Thenarukandiyil, Ranjeesh; Gupta, Suraj K.; Choudhury, Joyanta Unraveling the Competition of Two C‒H and Two M‒C Bonds in Guiding the Mechanism of Rhodium(III)-Catalyzed C‒H Activation‒Annulation ACS Catalysis, 2016, 6, 5132 |
| 4513905 | CIF | C26 H30 I Ir N2 O4 | P 1 21/n 1 | 10.646; 17.272; 14.564 90; 101.437; 90 | 2624.8 | Thenarukandiyil, Ranjeesh; Gupta, Suraj K.; Choudhury, Joyanta Unraveling the Competition of Two C‒H and Two M‒C Bonds in Guiding the Mechanism of Rhodium(III)-Catalyzed C‒H Activation‒Annulation ACS Catalysis, 2016, 6, 5132 |
| 4513906 | CIF | C26 H30 I N2 O4 Rh | P 1 21/n 1 | 10.6334; 17.2916; 14.4816 90; 101.307; 90 | 2611 | Thenarukandiyil, Ranjeesh; Gupta, Suraj K.; Choudhury, Joyanta Unraveling the Competition of Two C‒H and Two M‒C Bonds in Guiding the Mechanism of Rhodium(III)-Catalyzed C‒H Activation‒Annulation ACS Catalysis, 2016, 6, 5132 |
| 4513907 | CIF | C16 H30 Ca O12 | C 1 2 1 | 19.697; 5.855; 9.532 90; 95.8; 90 | 1093.7 | Petrus, Rafał; Bykowski, Dominik; Sobota, Piotr Solvothermal Alcoholysis Routes for Recycling Polylactide Waste as Lactic Acid Esters ACS Catalysis, 2016, 6, 5222 |
| 4513908 | CIF | C20 H40 Ca Cl2 O12 | P 1 | 8.768; 9.508; 10.629 97.45; 100.88; 117.39 | 748.4 | Petrus, Rafał; Bykowski, Dominik; Sobota, Piotr Solvothermal Alcoholysis Routes for Recycling Polylactide Waste as Lactic Acid Esters ACS Catalysis, 2016, 6, 5222 |
| 4513910 | CIF | C4 H12 Cl2 O2 Pd S2 | P 1 21/n 1 | 6.266; 9.3515; 9.3563 90; 108.635; 90 | 519.5 | Vemula, Sandeep R.; Kumar, Dinesh; Cook, Gregory R. Palladium-Catalyzed Allylic Amidation with N-Heterocycles via sp3C‒H Oxidation ACS Catalysis, 2016, 6, 5295 |
| 4513911 | CIF | C18 H15 Cl2 Pd2 | P 1 21/n 1 | 10.1578; 10.4643; 16.6141 90; 90.274; 90 | 1765.96 | Vemula, Sandeep R.; Kumar, Dinesh; Cook, Gregory R. Palladium-Catalyzed Allylic Amidation with N-Heterocycles via sp3C‒H Oxidation ACS Catalysis, 2016, 6, 5295 |
| 4513912 | CIF | C23 H22 N2 O | P 21 21 21 | 8.9213; 9.9325; 20.8095 90; 90; 90 | 1843.95 | Zhuo, Chun-Xiang; Zhang, Xiao; You, Shu-Li Enantioselective Synthesis of Pyrrole-Fused Piperazine and Piperazinone Derivatives via Ir-Catalyzed Asymmetric Allylic Amination ACS Catalysis, 2016, 6, 5307 |
| 4513918 | CIF | C14 H14 Cl4 N8 Pd2 | P 1 21/n 1 | 10.3908; 11.9666; 17.1508 90; 106.646; 90 | 2043.2 | Dehury, Niranjan; Maity, Niladri; Tripathy, Suman Kumar; Basset, Jean-Marie; Patra, Srikanta Dinuclear Tetrapyrazolyl Palladium Complexes Exhibiting Facile Tandem Transfer Hydrogenation/Suzuki Coupling Reaction of Fluoroarylketone ACS Catalysis, 2016, 6, 5535 |
| 4513919 | CIF | C20 H18 Cl4 N8 Pd2 | C 1 2/c 1 | 13.098; 14.599; 14.668 90; 113.234; 90 | 2577.3 | Dehury, Niranjan; Maity, Niladri; Tripathy, Suman Kumar; Basset, Jean-Marie; Patra, Srikanta Dinuclear Tetrapyrazolyl Palladium Complexes Exhibiting Facile Tandem Transfer Hydrogenation/Suzuki Coupling Reaction of Fluoroarylketone ACS Catalysis, 2016, 6, 5535 |
| 4513920 | CIF | C20 H18 Cl4 N8 Pd2 | P -1 | 7.602; 8.298; 10.7372 99.281; 104.335; 102.182 | 624.94 | Dehury, Niranjan; Maity, Niladri; Tripathy, Suman Kumar; Basset, Jean-Marie; Patra, Srikanta Dinuclear Tetrapyrazolyl Palladium Complexes Exhibiting Facile Tandem Transfer Hydrogenation/Suzuki Coupling Reaction of Fluoroarylketone ACS Catalysis, 2016, 6, 5535 |
| 4513921 | CIF | C15 H18 Cl N3 Ni O | C 1 2/c 1 | 14.6259; 13.2292; 16.0114 90; 101.154; 90 | 3039.51 | Soni, Vineeta; Jagtap, Rahul A.; Gonnade, Rajesh G.; Punji, Benudhar Unified Strategy for Nickel-Catalyzed C-2 Alkylation of Indoles through Chelation Assistance ACS Catalysis, 2016, 6, 5666 |
| 4513922 | CIF | C17 H22 N3 Ni O3.5 | P 1 21/c 1 | 15.7724; 14.0286; 16.1653 90; 101.236; 90 | 3508.25 | Soni, Vineeta; Jagtap, Rahul A.; Gonnade, Rajesh G.; Punji, Benudhar Unified Strategy for Nickel-Catalyzed C-2 Alkylation of Indoles through Chelation Assistance ACS Catalysis, 2016, 6, 5666 |
| 4513923 | CIF | C22 H33 B F4 P Rh | C 1 2/c 1 | 26.861; 7.7454; 21.4543 90; 97.763; 90 | 4422.6 | Strom, Alexandra E.; Balcells, David; Hartwig, John F. Synthetic and Computational Studies on the Rhodium-Catalyzed Hydroamination of Aminoalkenes ACS Catalysis, 2016, 6, 5651 |
| 4513924 | CIF | C26 H35 B F4 P Rh | P -1 | 10.927; 14.743; 15.848 106.91; 90.715; 94.619 | 2433 | Strom, Alexandra E.; Balcells, David; Hartwig, John F. Synthetic and Computational Studies on the Rhodium-Catalyzed Hydroamination of Aminoalkenes ACS Catalysis, 2016, 6, 5651 |
| 4513925 | CIF | C22 H35 B F4 P Rh | P -1 | 10.1423; 10.3515; 12.0166 91.342; 100.981; 115.42 | 1110.7 | Strom, Alexandra E.; Balcells, David; Hartwig, John F. Synthetic and Computational Studies on the Rhodium-Catalyzed Hydroamination of Aminoalkenes ACS Catalysis, 2016, 6, 5651 |
| 4513926 | CIF | C21 H20 Cl N3 O4 | P 1 21 1 | 9.48; 5.679; 19.061 90; 100.77; 90 | 1008.1 | Yang, Wu-Lin; Li, Chun-Yan; Qin, Wen-Jing; Tang, Fei-Fei; Yu, Xingxin; Deng, Wei-Ping Cu(I)-Catalyzed Chemoselective and Stereoselective [3 + 3] Cycloaddition of Azomethine Ylides with 2-Indolylnitroethylenes: Facile Access to Highly Substituted Tetrahydro-γ-Carbolines ACS Catalysis, 2016, 6, 5685 |
| 4513927 | CIF | C21 H20 Cl N3 O4 | P 21 21 21 | 7.1807; 13.199; 19.659 90; 90; 90 | 1863.2 | Yang, Wu-Lin; Li, Chun-Yan; Qin, Wen-Jing; Tang, Fei-Fei; Yu, Xingxin; Deng, Wei-Ping Cu(I)-Catalyzed Chemoselective and Stereoselective [3 + 3] Cycloaddition of Azomethine Ylides with 2-Indolylnitroethylenes: Facile Access to Highly Substituted Tetrahydro-γ-Carbolines ACS Catalysis, 2016, 6, 5685 |
| 4513928 | CIF | C17 H14 O2 | P 21 21 21 | 8.6908; 10.3574; 13.9701 90; 90; 90 | 1257.51 | Janssen-Müller, Daniel; Fleige, Mirco; Schlüns, Danny; Wollenburg, Marco; Daniliuc, Constantin G.; Neugebauer, Johannes; Glorius, Frank NHC-Catalyzed Enantioselective Dearomatizing Hydroacylation of Benzofurans and Benzothiophenes for the Synthesis of Spirocycles ACS Catalysis, 2016, 6, 5735 |
| 4513930 | CIF | C39 H70 O2 P2 Pd2 | P 1 21/c 1 | 9.7885; 32.8507; 26.2822 90; 93.385; 90 | 8436.5 | Lauer, Matthew G.; Headford, Benjamin R.; Gobble, Olivia M.; Weyhaupt, Michelle B.; Gerlach, Deidra L.; Zeller, Matthias; Shaughnessy, Kevin H. A Trialkylphosphine-Derived Palladacycle as a Catalyst in the Selective Cross-Dimerization of Terminal Arylacetylenes with Terminal Propargyl Alcohols and Amides ACS Catalysis, 2016, 6, 5834 |
| 4513932 | CIF | C28 H32 F6 N2 O3 Rh S Sb | P 1 21/c 1 | 13.8177; 16.467; 14.0445 90; 109.613; 90 | 3010.2 | Hu, Xu-Hong; Yang, Xiao-Fei; Loh, Teck-Peng Chelation-Assisted Rhodium-Catalyzed Direct Amidation with Amidobenziodoxolones: C(sp2)‒H, C(sp3)‒H, and Late-Stage Functionalizations ACS Catalysis, 2016, 6, 5930 |
| 4513933 | CIF | C28 H24 Cl3 N3 O7 S | P 1 | 9.8739; 10.6233; 13.8412 86.937; 77.911; 89.004 | 1417.6 | Hu, Xu-Hong; Yang, Xiao-Fei; Loh, Teck-Peng Chelation-Assisted Rhodium-Catalyzed Direct Amidation with Amidobenziodoxolones: C(sp2)‒H, C(sp3)‒H, and Late-Stage Functionalizations ACS Catalysis, 2016, 6, 5930 |
| 4513934 | CIF | C22 H18 N2 O4 S2 | P 1 21/c 1 | 17.653; 12.7; 9.4888 90; 93.31; 90 | 2123.8 | Pan, Fei; Li, Xin-Ling; Chen, Xiu-Mei; Shu, Chao; Ruan, Peng-Peng; Shen, Cang-Hai; Lu, Xin; Ye, Long-Wu Catalytic Ynamide Oxidation Strategy for the Preparation of α-Functionalized Amides ACS Catalysis, 2016, 6, 6055 |
| 4513935 | CIF | C29 H25 N O5 | P -1 | 9.2103; 9.7574; 14.5275 75.23; 88.275; 69.461 | 1179.64 | Jiang, Liqin; Jin, Weifeng; Hu, Wenhao Double C‒H Functionalization of Indoles via Three-Component Reactions/CuCl2-Catalyzed Aerobic Dehydrogenative Coupling for the Synthesis of Polyfunctional Cyclopenta[b]indoles ACS Catalysis, 2016, 6, 6146 |
| 4513938 | CIF | C25 H31 Cl O2 | P 1 21 1 | 9.842; 11.556; 9.8592 90; 97.807; 90 | 1110.9 | Ma, Chao; Huang, Yuan; Zhao, Yu Stereoselective 1,6-Conjugate Addition/Annulation ofpara-Quinone Methides with Vinyl Epoxides/Cyclopropanes ACS Catalysis, 2016, 6, 6408 |
| 4513939 | CIF | C39 H46 B2 F8 Fe N4 P2 | P 1 21 1 | 10.9646; 16.3287; 11.9006 90; 110.493; 90 | 1995.8 | Bigler, Raphael; Huber, Raffael; Stöckli, Marco; Mezzetti, Antonio Iron(II)/(NH)2P2Macrocycles: Modular, Highly Enantioselective Transfer Hydrogenation Catalysts ACS Catalysis, 2016, 6, 6455 |
| 4513940 | CIF | C59 H74 B2 Cl4 F8 Fe N4 P2 | P 1 | 10.4939; 10.7859; 13.5065 101.154; 92.256; 102.353 | 1459.9 | Bigler, Raphael; Huber, Raffael; Stöckli, Marco; Mezzetti, Antonio Iron(II)/(NH)2P2Macrocycles: Modular, Highly Enantioselective Transfer Hydrogenation Catalysts ACS Catalysis, 2016, 6, 6455 |
| 4513941 | CIF | C65.5 H33.5 Co F10 N6.5 O1.71 | P 1 21/c 1 | 17.3254; 30.92; 23.005 90; 90.359; 90 | 12323.6 | Lei, Haitao; Liu, Chengyu; Wang, Zhaojun; Zhang, Zongyao; Zhang, Meining; Chang, Xingmao; Zhang, Wei; Cao, Rui Noncovalent Immobilization of a Pyrene-Modified Cobalt Corrole on Carbon Supports for Enhanced Electrocatalytic Oxygen Reduction and Oxygen Evolution in Aqueous Solutions ACS Catalysis, 2016, 6, 6429 |
| 4513942 | CIF | C22 H32 Au F6 N4 Sb | P 1 21/c 1 | 8.4122; 11.7102; 14.7141 90; 103.893; 90 | 1407.06 | Bartolomé, Camino; Ramiro, Zoraida; Peñas-Defrutos, Marconi N.; Espinet, Pablo Some Singular Features of Gold Catalysis: Protection of Gold(I) Catalysts by Substoichiometric Agents and Associated Phenomena ACS Catalysis, 2016, 6, 6537 |
| 4513943 | CIF | C55 H51 B2 F20 N O Zr | P 1 21/n 1 | 10.6797; 38.6444; 25.5186 90; 94.5702; 90 | 10498.3 | Metters, Owen J.; Flynn, Stephanie R.; Dowds, Christiana K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F. Catalytic Dehydrocoupling of Amine‒Boranes using Cationic Zirconium(IV)‒Phosphine Frustrated Lewis Pairs ACS Catalysis, 2016, 6, 6601 |
| 4513944 | CIF | C62 H61.5 B2 Cl0.5 F20 N O Zr | P -1 | 10.8416; 16.5385; 18.9008 68.2519; 74.0118; 72.1388 | 2945.45 | Metters, Owen J.; Flynn, Stephanie R.; Dowds, Christiana K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F. Catalytic Dehydrocoupling of Amine‒Boranes using Cationic Zirconium(IV)‒Phosphine Frustrated Lewis Pairs ACS Catalysis, 2016, 6, 6601 |
| 4513945 | CIF | C60 H51 B F20 N2 O Zr | P c a 21 | 17.1305; 10.7085; 29.9187 90; 90; 90 | 5488.3 | Metters, Owen J.; Flynn, Stephanie R.; Dowds, Christiana K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F. Catalytic Dehydrocoupling of Amine‒Boranes using Cationic Zirconium(IV)‒Phosphine Frustrated Lewis Pairs ACS Catalysis, 2016, 6, 6601 |
| 4513946 | CIF | C20 H25 N O2 | P 1 21 1 | 9.419; 8.8409; 11.6624 90; 112.966; 90 | 894.18 | Zhang, Heyi; Lu, Zhan Dual-Stereocontrol Asymmetric Cobalt-Catalyzed Hydroboration of Sterically Hindered Styrenes ACS Catalysis, 2016, 6, 6596 |
| 4513948 | CIF | C25 H38 B3 Cl2 I N12 Ni2 | P -1 | 12.3061; 12.6455; 13.1675 78.8847; 71.0045; 87.4156 | 1900.8 | Lu, Zhiyao; Williams, Travis J. Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions ACS Catalysis, 2016, 6, 6670 |
| 4513949 | CIF | C59 H68 Cl2 N8 Ni3 O4 | P 1 21/c 1 | 22.9867; 8.2956; 32.6131 90; 109.922; 90 | 5846.8 | Lu, Zhiyao; Williams, Travis J. Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions ACS Catalysis, 2016, 6, 6670 |
| 4513950 | CIF | C24 H30 B I N4 | P 1 21/m 1 | 8.2687; 19.3361; 8.7596 90; 115.029; 90 | 1269.01 | Lu, Zhiyao; Williams, Travis J. Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions ACS Catalysis, 2016, 6, 6670 |
| 4513951 | CIF | C40 H55 Cl N4 Ni O0 | P 1 21 1 | 9.586; 12.006; 18.204 90; 96.216; 90 | 2082.8 | Pu, Xinghui; Hu, Jiefeng; Zhao, Yue; Shi, Zhuangzhi Nickel-Catalyzed Decarbonylative Borylation and Silylation of Esters ACS Catalysis, 2016, 6, 6692 |
| 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 |
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