Crystallography Open Database
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Searching journal of publication like 'ACS Catalysis'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 4513893 | CIF | C34 H18 B F20 N3 O2 Si | P -1 | 7.9383; 13.9155; 16.4838 75.2; 84.476; 76.031 | 1707.3 | von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T. Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs ACS Catalysis, 2016, 4526 |
| 4513894 | CIF | C19 H23 N3 Si | P 1 21 1 | 8.5953; 8.5523; 11.7943 90; 92.704; 90 | 866.03 | von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T. Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs ACS Catalysis, 2016, 4526 |
| 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 |
| 4513902 | CIF | C32 H48.9 Cl3 Co2 N8 O16.71 | P 1 21/c 1 | 18.2143; 12.64794; 19.337 90; 111.871; 90 | 4134.1 | Wang, Jia-Wei; Sahoo, Pathik; Lu, Tong-Bu Reinvestigation of Water Oxidation Catalyzed by a Dinuclear Cobalt Polypyridine Complex: Identification of CoOxas a Real Heterogeneous Catalyst ACS Catalysis, 2016, 5062 |
| 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 |
| 4513917 | CIF | C29 H22 N2 O | P 1 21/n 1 | 13.936; 8.669; 18.401 90; 104.393; 90 | 2153 | Maity, Soham; Kancherla, Rajesh; Dhawa, Uttam; Hoque, Ehtasimul; Pimparkar, Sandeep; Maiti, Debabrata Switch to Allylic Selectivity in Cobalt-Catalyzed Dehydrogenative Heck Reactions with Unbiased Aliphatic Olefins ACS Catalysis, 2016, 5493 |
| 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 |
| 4513931 | CIF | C13 H24 N2 O3 | C 1 c 1 | 17.0431; 25.6881; 10.2924 90; 90.01; 90 | 4506.1 | Kim, Hyunwoo; Park, Gyeongtae; Park, Juhyeon; Chang, Sukbok A Facile Access to Primary Alkylamines and Anilines via Ir(III)-Catalyzed C‒H Amidation Using Azidoformates ACS Catalysis, 2016, 5922 |
| 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 |
| 4513936 | CIF | C20 H20 I2 N2 | P 21 21 21 | 8.0059; 12.7607; 18.742 90; 90; 90 | 1914.7 | Yu, Xiao-Long; Kuang, Liping; Chen, Su; Zhu, Xiao-Long; Li, Zhong-Liang; Tan, Bin; Liu, Xin-Yuan Counteranion-Controlled Unprecedented Diastereo- and Enantioselective Tandem Formal Povarov Reaction for Construction of Bioactive Octahydro-Dipyrroloquinolines ACS Catalysis, 2016, 6182 |
| 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 |
| 4513958 | CIF | C16 H15 Br O4 S | P 1 21 1 | 8.8773; 7.1193; 14.0576 90; 103.929; 90 | 862.32 | Tan, Fei; Liu, Xiaohua; Hao, Xiaoyu; Tang, Yu; Lin, Lili; Feng, Xiaoming Asymmetric Catalytic Insertion of α-Diazo Carbonyl Compounds into O‒H Bonds of Carboxylic Acids ACS Catalysis, 2016, 6930 |
| 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 |
| 4513967 | CIF | C61.75 H82.75 Au3 B Cl5.25 F4 O P3 | P n a 21 | 25.4511; 14.4307; 18.9787 90; 90; 90 | 6970.4 | Zhu, Yuyang; Zhou, Wentong; Petryna, Ellen M.; Rogers, Brock R.; Day, Cynthia S.; Jones, Amanda C. Insights into Alkene Activation by Gold: Nucleophile Activation with Base as a Trigger for Generation of Lewis Acidic Gold ACS Catalysis, 2016, 7357 |
| 4513968 | CIF | C45 H55 Au Cl2 N2 O | P -1 | 9.1823; 9.5417; 26.1911 90.453; 90.84; 114.659 | 2084.99 | Zhu, Yuyang; Zhou, Wentong; Petryna, Ellen M.; Rogers, Brock R.; Day, Cynthia S.; Jones, Amanda C. Insights into Alkene Activation by Gold: Nucleophile Activation with Base as a Trigger for Generation of Lewis Acidic Gold ACS Catalysis, 2016, 7357 |
| 4513969 | CIF | C35 H32 Au O P | P 1 21/c 1 | 16.333; 8.8197; 19.533 90; 90.342; 90 | 2813.7 | Zhu, Yuyang; Zhou, Wentong; Petryna, Ellen M.; Rogers, Brock R.; Day, Cynthia S.; Jones, Amanda C. Insights into Alkene Activation by Gold: Nucleophile Activation with Base as a Trigger for Generation of Lewis Acidic Gold ACS Catalysis, 2016, 7357 |
| 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 |
| 4513978 | CIF | C14 H16 Cl3 Ir N2 O5 | P -1 | 9.1361; 10.454; 10.987 109.018; 100.334; 109.417 | 885.6 | Abril, Paula; del R\?ío, M. Pilar; Tejel, Cristina; Verhoeven, Tiny W. G. M.; Niemantsverdriet, J. W. Hans; Van der Ham, Cornelis J. M.; Kottrup, Konstantin G.; Hetterscheid, Dennis G. H. Detangling Catalyst Modification Reactions from the Oxygen Evolution Reaction by Online Mass Spectrometry ACS Catalysis, 2016, 7872 |
| 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 |
| 4513982 | CIF | C34 H36 Cl2 N P Ti | P b c a | 8.463; 20.965; 35.984 90; 90; 90 | 6385 | Ehm, Christian; Cipullo, Roberta; Passaro, Miriana; Zaccaria, Francesco; Budzelaar, Peter H. M.; Busico, Vincenzo Chain Transfer to Solvent in Propene Polymerization with Ti Cp-phosphinimide Catalysts: Evidence for Chain Termination via Ti‒C Bond Homolysis ACS Catalysis, 2016, 7989 |
| 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 |
| 4513987 | CIF | C22 H24 O6 | P 1 21/c 1 | 12.7894; 10.6893; 14.2151 90; 99.57; 90 | 1916.3 | Liu, Yuliang; Zhang, Mingfu; Tung, Chen-Ho; Wang, Yifeng TiO2 Photocatalytic Cyclization Reactions for the Syntheses of Aryltetralones ACS Catalysis, 2016, 8389 |
| 4513988 | CIF | C18 H18 O3 | P 1 21/c 1 | 12.469; 13.936; 8.2701 90; 96.849; 90 | 1426.8 | Liu, Yuliang; Zhang, Mingfu; Tung, Chen-Ho; Wang, Yifeng TiO2 Photocatalytic Cyclization Reactions for the Syntheses of Aryltetralones ACS Catalysis, 2016, 8389 |
| 4513990 | CIF | C30 H30 O4 P2 | P 1 21/c 1 | 24.0185; 5.3968; 20.965 90; 94.688; 90 | 2708.46 | Ilies, Laurean; Itabashi, Yuki; Shang, Rui; Nakamura, Eiichi Iron/Zinc-Co-catalyzed Directed Arylation and Alkenylation of C(sp3)‒H Bonds with Organoborates ACS Catalysis, 2016, 89 |
| 4513993 | CIF | C30 H30 Ni O2 P2 | I 1 2/a 1 | 18.9022; 9.9937; 43.3265 90; 91.431; 90 | 8181.9 | Dey, Aniruddha; Sasmal, Sheuli; Seth, Kapileswar; Lahiri, Goutam Kumar; Maiti, Debabrata Nickel-Catalyzed Deamidative Step-Down Reduction of Amides to Aromatic Hydrocarbons ACS Catalysis, 2016, 433 |
| 4513994 | CIF | C46 H52 Cu2 N10 | P 21 21 21 | 15.431; 16.964; 23.348 90; 90; 90 | 6112 | Trose, Michael; Lazreg, Faïma; Chang, Tao; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J. Neutral Dinuclear Copper(I)-NHC Complexes: Synthesis and Application in the Hydrosilylation of Ketones ACS Catalysis, 2017, 7, 238 |
| 4513995 | CIF | C18 H20 Br Cl O4 | P -1 | 8.6779; 9.0204; 12.802 92.405; 96.467; 113.588 | 908.37 | Gao, Yuzhen; Zhang, Pengbo; Ji, Zhe; Tang, Guo; Zhao, Yufen Copper-Catalyzed Cascade Radical Addition‒Cyclization Halogen Atom Transfer between Alkynes and Unsaturated α-Halogenocarbonyls ACS Catalysis, 2016, 186 |
| 4513996 | CIF | C16 H17 Br O5 | P 21 21 21 | 9.4351; 12.256; 13.14 90; 90; 90 | 1519.5 | Uyanik, Muhammet; Sasakura, Niiha; Mizuno, Masahiro; Ishihara, Kazuaki Enantioselective Synthesis of Masked Benzoquinones Using Designer Chiral Hypervalent Organoiodine(III) Catalysis ACS Catalysis, 2016, 872 |
| 4513997 | CIF | C15 H13 N O | P b c a | 10.2112; 7.7666; 27.5135 90; 90; 90 | 2182 | Potter, Tyler J.; Kamber, David N.; Mercado, Brandon Q.; Ellman, Jonathan A. Rh(III)-Catalyzed Aryl and Alkenyl C‒H Bond Addition to Diverse Nitroalkenes ACS Catalysis, 2016, 150 |
| 4513998 | CIF | C31 H36 B N O4 S | P -1 | 10.9835; 12.2187; 13.4045 62.987; 70.987; 71.821 | 1486.2 | Xi, Tuo; Lu, Zhan Cobalt-Catalyzed Ligand-Controlled Regioselective Hydroboration/Cyclization of 1,6-Enynes ACS Catalysis, 2017, 1181 |
| 4513999 | CIF | C25 H39 Cl F3 Ir N O3 P S | P 1 21/c 1 | 8.1455; 16.5588; 20.962 90; 94.132; 90 | 2820 | Celaje, Jeff Joseph A.; Zhang, Xingyue; Zhang, Forrest; Kam, Lisa; Herron, Jessica R.; Williams, Travis J. A Base and Solvent-Free Ruthenium-Catalyzed Alkylation of Amines ACS Catalysis, 2017, 7, 1136 |
| 4514003 | CIF | C53 H50 Ni O5 P2 S Si | P -1 | 12.3423; 19.324; 21.3802 88.813; 82.852; 76.64 | 4922.5 | Chen, Min; Chen, Changle Rational Design of High-Performance Phosphine Sulfonate Nickel Catalysts for Ethylene Polymerization and Copolymerization with Polar Monomers ACS Catalysis, 2017, 1308 |
| 4514007 | CIF | C15 H32 N2 O3 | P 21 21 21 | 9.6788; 11.2486; 16.793 90; 90; 90 | 1828.3 | Cañellas, Santiago; Ayats, Carles; Henseler, Andrea H.; Pericàs, Miquel A. A Highly Active Polymer-Supported Catalyst for Asymmetric Robinson Annulations in Continuous Flow ACS Catalysis, 2017 |
| 4514008 | CIF | C17 H24 N O3 S | P 1 21 1 | 9.0973; 8.2011; 22.9008 90; 99.357; 90 | 1685.85 | Feng, Jian-Jun; Zhang, Junliang Rhodium-Catalyzed Stereoselective Intramolecular Tandem Reaction of Vinyloxiranes with Alkynes: Atom- and Step-Economical Synthesis of Multifunctional Mono-, Bi-, and Tricyclic Compounds ACS Catalysis, 2017, 7, 1533 |
| 4514010 | CIF | C54 H46 Al F15 N3 O Re | P -1 | 12.546; 14.078; 17.037 67.591; 72.379; 69.555 | 2556.2 | Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A. Tuning Catalytic Activity in the Hydrogenation of Unactivated Olefins with Transition-Metal Oxos as the Lewis Base Component of Frustrated Lewis Pairs ACS Catalysis, 2017, 7, 1170 |
| 4514011 | CIF | C37.5 H47 Cl N3 O Re | P 1 21/n 1 | 15.6648; 13.4862; 17.082 90; 105.914; 90 | 3470.4 | Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A. Tuning Catalytic Activity in the Hydrogenation of Unactivated Olefins with Transition-Metal Oxos as the Lewis Base Component of Frustrated Lewis Pairs ACS Catalysis, 2017, 7, 1170 |
| 4514012 | CIF | C28 H27 N3 O8 S2 | C 1 c 1 | 16.946; 13.855; 12.2464 90; 100.543; 90 | 2826.8 | Rivinoja, Daniel J.; Gee, Yi Sing; Gardiner, Michael G.; Ryan, John H.; Hyland, Christopher J. T. The Diastereoselective Synthesis of Pyrroloindolines by Pd-Catalyzed Dearomative Cycloaddition of 1-Tosyl-2-vinylaziridine to 3-Nitroindoles ACS Catalysis, 2017, 7, 1053 |
| 4514013 | CIF | C25 H24 O3 | P 21 21 21 | 6.72474; 16.401; 17.4977 90; 90; 90 | 1929.86 | James, Jinju; Guiry, Patrick J. Highly Enantioselective Construction of Sterically Hindered α-Allyl-α-Aryl Lactones via Palladium-Catalyzed Decarboxylative Asymmetric Allylic Alkylation ACS Catalysis, 2017, 7, 1397 |
| 4514014 | CIF | C16 H13 Au Cl5 N O2 | P -1 | 8.2785; 8.9703; 14.5673 76.336; 87.282; 65.557 | 955.4 | Tomás-Mendivil, Eder; Heinrich, Clément F.; Ortuno, Jean-Claude; Starck, Jérôme; Michelet, Véronique Gold-Catalyzed Access to 1H-Isochromenes: Reaction Development and Mechanistic Insight ACS Catalysis, 2017, 7, 380 |
| 4514015 | CIF | C17 H19 F3 I N O3 | C 1 2/c 1 | 47.1143; 4.86847; 16.0241 90; 97.7446; 90 | 3641.99 | Shen, Yangyang; Cornella, Josep; Juliá-Hernández, Francisco; Martin, Ruben Visible-Light-Promoted Atom Transfer Radical Cyclization of Unactivated Alkyl Iodides ACS Catalysis, 2017, 7, 409 |
| 4514016 | CIF | C46 H56 Cu2 N10 | P 1 21/c 1 | 11.3017; 13.5088; 14.966 90; 108.686; 90 | 2164.5 | Trose, Michael; Lazreg, Faïma; Chang, Tao; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J. Neutral Dinuclear Copper(I)-NHC Complexes: Synthesis and Application in the Hydrosilylation of Ketones ACS Catalysis, 2017, 7, 238 |
| 4514017 | CIF | C35 H54 Cl2 Cu2 N10 | I 41/a | 20.4817; 20.4817; 21.6349 90; 90; 90 | 9075.8 | Trose, Michael; Lazreg, Faïma; Chang, Tao; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J. Neutral Dinuclear Copper(I)-NHC Complexes: Synthesis and Application in the Hydrosilylation of Ketones ACS Catalysis, 2017, 7, 238 |
| 4514023 | CIF | C78 H65 Cl F6 P5 Pd3 Sb | P 1 21/c 1 | 15.3747; 16.9302; 27.578 90; 93.07; 90 | 7168.2 | Fu, Fangyu; Xiang, Ji; Cheng, Hao; Cheng, Longjiu; Chong, Hanbao; Wang, Shuxin; Li, Peng; Wei, Shiqiang; Zhu, Manzhou; Li, Yadong A Robust and Efficient Pd3 Cluster Catalyst for the Suzuki Reaction and Its Odd Mechanism ACS Catalysis, 2017, 7, 1860 |
| 4514024 | CIF | C94 H118 Ge2 N2 O Si2 | C 1 2/c 1 | 24.283; 21.152; 17.759 90; 114.38; 90 | 8308 | Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido‒Germanium(II) and −Tin(II) Hydride Complexes ACS Catalysis, 2017, 7, 1853 |
| 4514025 | CIF | C52 H69 B N O3.5 Si Sn | P -1 | 10.1191; 12.9066; 18.7646 88.763; 86.92; 85.612 | 2439.63 | Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido‒Germanium(II) and −Tin(II) Hydride Complexes ACS Catalysis, 2017, 7, 1853 |
| 4514026 | CIF | C45 H53 N O2 Si Sn | P -1 | 9.99; 11.36; 18.89 86.59; 85.63; 67.69 | 1976.4 | Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido‒Germanium(II) and −Tin(II) Hydride Complexes ACS Catalysis, 2017, 7, 1853 |
| 4514027 | CIF | C15 H23 N3 O3 | P b c a | 16.5344; 9.4279; 20.9981 90; 90; 90 | 3273.3 | Bai, He-Yuan; Ma, Zhi-Gang; Yi, Min; Lin, Jun-Bing; Zhang, Shu-Yu Palladium-Catalyzed Direct Intermolecular Amination of Unactivated Methylene C(sp3)‒H Bonds with Azodiformates via Bidentate-Chelation Assistance ACS Catalysis, 2017, 7, 2042 |
| 4514028 | CIF | C56.25 H50.5 F12 N10 O4.75 P2 Ru2 | C 1 2/c 1 | 23.6464; 24.1857; 24.249 90; 116.899; 90 | 12367.7 | Odrobina, Jann; Scholz, Julius; Pannwitz, Andrea; Francàs, Laia; Dechert, Sebastian; Llobet, Antoni; Jooss, Christian; Meyer, Franc Backbone Immobilization of the Bis(bipyridyl)pyrazolate Diruthenium Catalyst for Electrochemical Water Oxidation ACS Catalysis, 2017, 7, 2116 |
| 4514029 | CIF | C61 H60 F12 N10 O7 P2 Ru2 | C 1 2/c 1 | 18.7376; 22.1944; 15.7519 90; 90.788; 90 | 6550.1 | Odrobina, Jann; Scholz, Julius; Pannwitz, Andrea; Francàs, Laia; Dechert, Sebastian; Llobet, Antoni; Jooss, Christian; Meyer, Franc Backbone Immobilization of the Bis(bipyridyl)pyrazolate Diruthenium Catalyst for Electrochemical Water Oxidation ACS Catalysis, 2017, 7, 2116 |
| 4514030 | CIF | C42 H36 F2 Fe Ni P2 S | P -1 | 11.2326; 11.336; 16.1197 78.107; 72.51; 67.279 | 1796.3 | Kalvet, Indrek; Guo, Qianqian; Tizzard, Graham J.; Schoenebeck, Franziska When Weaker Can Be Tougher: The Role of Oxidation State (I) in P- vs N-Ligand-Derived Ni-Catalyzed Trifluoromethylthiolation of Aryl Halides. ACS catalysis, 2017, 7, 2126-2132 |
| 4514031 | CIF | C40 H34 Fe I2 Ni P2 | P -1 | 8.9532; 10.0303; 20.4331 91.917; 99.127; 94.971 | 1802.83 | Kalvet, Indrek; Guo, Qianqian; Tizzard, Graham J.; Schoenebeck, Franziska When Weaker Can Be Tougher: The Role of Oxidation State (I) in P- vs N-Ligand-Derived Ni-Catalyzed Trifluoromethylthiolation of Aryl Halides. ACS catalysis, 2017, 7, 2126-2132 |
| 4514037 | CIF | C54.5 H45 Ag4 Cl5 O10 | P 1 21/n 1 | 11.2473; 18.5148; 26.3786 90; 97.2988; 90 | 5448.6 | Zhou, Zhen; He, Cheng; Yang, Lu; Wang, Yefei; Liu, Tao; Duan, Chunying Alkyne Activation by a Porous Silver Coordination Polymer for Heterogeneous Catalysis of Carbon Dioxide Cycloaddition ACS Catalysis, 2017, 7, 2248 |
| 4514038 | CIF | C15 H12 Ag2 O6 | C 1 2/c 1 | 26.064; 19.397; 11.0996 90; 97.166; 90 | 5567.7 | Zhou, Zhen; He, Cheng; Yang, Lu; Wang, Yefei; Liu, Tao; Duan, Chunying Alkyne Activation by a Porous Silver Coordination Polymer for Heterogeneous Catalysis of Carbon Dioxide Cycloaddition ACS Catalysis, 2017, 7, 2248 |
| 4514039 | CIF | C44 H30 F5 N2 P | P 1 21 1 | 12.3621; 45.6111; 12.6667 90; 97.7659; 90 | 7076.6 | Rokade, Balaji V.; Guiry, Patrick J. Diastereofacial π-Stacking as an Approach To Access an Axially Chiral P,N-Ligand for Asymmetric Catalysis ACS Catalysis, 2017, 2334 |
| 4514040 | CIF | C24 H18 Cl6 N O5 V | P 1 21 1 | 7.20833; 12.3392; 14.6278 90; 93.647; 90 | 1298.44 | Miceli, Claudia; Rintjema, Jeroen; Martin, Eddy; Escudero-Adán, Eduardo C.; Zonta, Cristiano; Licini, Giulia; Kleij, Arjan W. Vanadium(V) Catalysts with High Activity for the Coupling of Epoxides and CO2: Characterization of a Putative Catalytic Intermediate ACS Catalysis, 2017, 7, 2367 |
| 4514041 | CIF | C24 H17 Cl7 N O5 V | P 1 21/c 1 | 7.1728; 13.0626; 28.541 90; 96.136; 90 | 2658.8 | Miceli, Claudia; Rintjema, Jeroen; Martin, Eddy; Escudero-Adán, Eduardo C.; Zonta, Cristiano; Licini, Giulia; Kleij, Arjan W. Vanadium(V) Catalysts with High Activity for the Coupling of Epoxides and CO2: Characterization of a Putative Catalytic Intermediate ACS Catalysis, 2017, 7, 2367 |
| 4514048 | CIF | C21 H26 N2 O5 | C 1 2 1 | 22.5768; 8.5784; 12.0175 90; 121.047; 90 | 1994.04 | Chen, Xiaohong; Yang, Shujing; Li, Helong; Wang, Bo; Song, Guoyong Enantioselective C‒H Annulation of Indoles with Diazo Compounds through a Chiral Rh(III) Catalyst ACS Catalysis, 2017, 2392 |
| 4514051 | CIF | C44 H30 F5 N2 P | P 1 21 1 | 12.37; 45.6483; 12.6634 90; 97.6938; 90 | 7086.3 | Paioti, Paulo H. S.; Abboud, Khalil A.; Aponick, Aaron Incorporation of Axial Chirality into Phosphino-Imidazoline Ligands for Enantioselective Catalysis ACS Catalysis, 2017, 7, 2133 |
| 4514052 | CIF | C78 H65 Br0.69 Cl0.31 F6 P5 Pd3 Sb | P 1 21/c 1 | 15.3662; 16.9466; 27.676 90; 92.693; 90 | 7199 | Fu, Fangyu; Xiang, Ji; Cheng, Hao; Cheng, Longjiu; Chong, Hanbao; Wang, Shuxin; Li, Peng; Wei, Shiqiang; Zhu, Manzhou; Li, Yadong A Robust and Efficient Pd3 Cluster Catalyst for the Suzuki Reaction and Its Odd Mechanism ACS Catalysis, 2017, 7, 1860 |
| 4514053 | CIF | C50 H64 B Ge N O3 Si | P -1 | 9.93; 14.88; 15.29 91; 91.6; 98.1 | 2235.3 | Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido‒Germanium(II) and −Tin(II) Hydride Complexes ACS Catalysis, 2017, 7, 1853 |
| 4514054 | CIF | C101 H134 Ge2 N2 O2 Si2 | C 1 2/c 1 | 31.052; 19.593; 17.8613 90; 105.933; 90 | 10449.4 | Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido‒Germanium(II) and −Tin(II) Hydride Complexes ACS Catalysis, 2017, 7, 1853 |
| 4514055 | CIF | C38 H36 N2 O5 S2 | P 21 21 21 | 10.9061; 12.6404; 28.3159 90; 90; 90 | 3903.6 | Feng, Jian-Jun; Zhang, Junliang Rhodium-Catalyzed Stereoselective Intramolecular Tandem Reaction of Vinyloxiranes with Alkynes: Atom- and Step-Economical Synthesis of Multifunctional Mono-, Bi-, and Tricyclic Compounds ACS Catalysis, 2017, 7, 1533 |
| 4514056 | CIF | C17 H21 N O3 S | P 21 21 21 | 8.1166; 13.77; 15.4267 90; 90; 90 | 1724.17 | Feng, Jian-Jun; Zhang, Junliang Rhodium-Catalyzed Stereoselective Intramolecular Tandem Reaction of Vinyloxiranes with Alkynes: Atom- and Step-Economical Synthesis of Multifunctional Mono-, Bi-, and Tricyclic Compounds ACS Catalysis, 2017, 7, 1533 |
| 4514057 | CIF | C25 H44 Mn N O3 P2 | P n a 21 | 30.3732; 11.6836; 7.6516 90; 90; 90 | 2715.3 | Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Paul, Jean-François; Dumeignil, Franck; Gauvin, Régis M. Manganese Pincer Complexes for the Base-Free, Acceptorless Dehydrogenative Coupling of Alcohols to Esters: Development, Scope, and Understanding ACS Catalysis, 2017, 7, 2022 |
| 4514058 | CIF | C18 H41 B Mn N O2 P2 | P b c a | 17.2037; 14.6522; 19.066 90; 90; 90 | 4806 | Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Paul, Jean-François; Dumeignil, Franck; Gauvin, Régis M. Manganese Pincer Complexes for the Base-Free, Acceptorless Dehydrogenative Coupling of Alcohols to Esters: Development, Scope, and Understanding ACS Catalysis, 2017, 7, 2022 |
| 4514059 | CIF | C18 H38 Mn N O2 P2 | P 1 21/c 1 | 10.6335; 14.5777; 13.8441 90; 97.449; 90 | 2127.9 | Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Paul, Jean-François; Dumeignil, Franck; Gauvin, Régis M. Manganese Pincer Complexes for the Base-Free, Acceptorless Dehydrogenative Coupling of Alcohols to Esters: Development, Scope, and Understanding ACS Catalysis, 2017, 7, 2022 |
| 4514060 | CIF | C40 H34 Br Fe Ni P2 | P -1 | 9.6075; 10.9191; 17.624 96.565; 105.405; 103.759 | 1699.9 | Kalvet, Indrek; Guo, Qianqian; Tizzard, Graham J.; Schoenebeck, Franziska When Weaker Can Be Tougher: The Role of Oxidation State (I) in P- vs N-Ligand-Derived Ni-Catalyzed Trifluoromethylthiolation of Aryl Halides. ACS catalysis, 2017, 7, 2126-2132 |
| 4514061 | CIF | C72 H64 Fe2 I2 Ni2 O P4 | C 1 2/c 1 | 23.6771; 13.9547; 19.1841 90; 90.394; 90 | 6338.4 | Kalvet, Indrek; Guo, Qianqian; Tizzard, Graham J.; Schoenebeck, Franziska When Weaker Can Be Tougher: The Role of Oxidation State (I) in P- vs N-Ligand-Derived Ni-Catalyzed Trifluoromethylthiolation of Aryl Halides. ACS catalysis, 2017, 7, 2126-2132 |
| 4514062 | CIF | C18 H17 N O2 | P -1 | 7.3719; 8.0356; 12.4786 82.255; 78.93; 86.099 | 718.16 | Wu, Xiaowei; Wang, Bao; Zhou, Shengbin; Zhou, Yu; Liu, Hong Ruthenium-Catalyzed Redox-Neutral [4 + 1] Annulation of Benzamides and Propargyl Alcohols via C‒H Bond Activation ACS Catalysis, 2017, 7, 2494 |
| 4514063 | CIF | C30 H64 Br2 P2 Pd2 | P 1 21/c 1 | 14.191; 14.4097; 18.8529 90; 90.638; 90 | 3855 | Hu, Huaiyuan; Qu, Fengrui; Gerlach, Deidra L.; Shaughnessy, Kevin H. Mechanistic Study of the Role of Substrate Steric Effects and Aniline Inhibition on the Bis(trineopentylphosphine)palladium(0)-Catalyzed Arylation of Aniline Derivatives ACS Catalysis, 2017, 7, 2516 |
| 4514064 | CIF | C48 H88 Br2 Cl4 P2 Pd2 | P -1 | 9.5914; 12.2401; 13.6152 114.515; 94.093; 92.143 | 1446.66 | Hu, Huaiyuan; Qu, Fengrui; Gerlach, Deidra L.; Shaughnessy, Kevin H. Mechanistic Study of the Role of Substrate Steric Effects and Aniline Inhibition on the Bis(trineopentylphosphine)palladium(0)-Catalyzed Arylation of Aniline Derivatives ACS Catalysis, 2017, 7, 2516 |
| 4514066 | CIF | C18 H19 N3 O2 | P 1 21/n 1 | 8.2446; 18.1585; 10.6143 90; 99.541; 90 | 1567.08 | Leitch, Jamie A.; McMullin, Claire L.; Mahon, Mary F.; Bhonoah, Yunas; Frost, Christopher G. Remote C6-Selective Ruthenium-Catalyzed C‒H Alkylation of Indole Derivatives via σ-Activation ACS Catalysis, 2017, 2616 |
| 4514067 | CIF | C24 H29 N3 O4 | P -1 | 7.2094; 12.0942; 13.0064 106.921; 90.76; 95.278 | 1079.4 | Leitch, Jamie A.; McMullin, Claire L.; Mahon, Mary F.; Bhonoah, Yunas; Frost, Christopher G. Remote C6-Selective Ruthenium-Catalyzed C‒H Alkylation of Indole Derivatives via σ-Activation ACS Catalysis, 2017, 2616 |
| 4514068 | CIF | C23 H18 N2 O3 S | P -1 | 8.1462; 9.4252; 13.2617 104.796; 102.654; 103.208 | 915.85 | Li, Jun-Ming; Wang, Yong-Heng; Yu, Yang; Wu, Rui-Bo; Weng, Jiang; Lu, Gui Copper-Catalyzed Remote C‒H Functionalizations of Naphthylamides through a Coordinating Activation Strategy and Single-Electron-Transfer (SET) Mechanism ACS Catalysis, 2017, 2661 |
| 4514069 | CIF | C49 H40 N2 O4 | P -1 | 11.406; 12.0431; 13.804 89.519; 88.399; 75.619 | 1836 | Uraguchi, Daisuke; Torii, Masahiro; Ooi, Takashi Acridinium Betaine as a Single-Electron-Transfer Catalyst: Design and Application to Dimerization of Oxindoles ACS Catalysis, 2017 |
| 4514070 | CIF | C38 H29 F3 N O | P b c n | 15.083; 14.7314; 26.284 90; 90; 90 | 5840.1 | Uraguchi, Daisuke; Torii, Masahiro; Ooi, Takashi Acridinium Betaine as a Single-Electron-Transfer Catalyst: Design and Application to Dimerization of Oxindoles ACS Catalysis, 2017 |
| 4514071 | CIF | C25 H19 Br N2 O2 | P 21 21 21 | 9.5611; 9.7674; 44.019 90; 90; 90 | 4110.8 | Wang, Shoulei; Izquierdo, Javier; Rodríguez-Escrich, Carles; Pericàs, Miquel A. Asymmetric [4 + 2] Annulation Reactions Catalyzed by a Robust, Immobilized Isothiourea ACS Catalysis, 2017, 7, 2780 |
| 4514072 | CIF | C24 H17 N O2 S | P 21 21 21 | 6.2831; 10.506; 28.682 90; 90; 90 | 1893.3 | Wang, Shoulei; Izquierdo, Javier; Rodríguez-Escrich, Carles; Pericàs, Miquel A. Asymmetric [4 + 2] Annulation Reactions Catalyzed by a Robust, Immobilized Isothiourea ACS Catalysis, 2017, 7, 2780 |
| 4514073 | CIF | C38 H27 N5 O2 | P b c n | 17.1283; 9.2992; 18.9173 90; 90; 90 | 3013.1 | Du, Cong; Li, Peng-Xiang; Zhu, Xinju; Han, Jiao-Na; Niu, Jun-Long; Song, Mao-Ping Cobalt-Catalyzed Oxidative C-H/N-H Cross-Coupling: Selective and Facile Access to Triarylamines ACS Catalysis, 2017 |
| 4514074 | CIF | C45 H33 Cl2 Co N6 O2 | P 1 21/c 1 | 12.2327; 13.1901; 24.1763 90; 103.838; 90 | 3787.6 | Du, Cong; Li, Peng-Xiang; Zhu, Xinju; Han, Jiao-Na; Niu, Jun-Long; Song, Mao-Ping Cobalt-Catalyzed Oxidative C-H/N-H Cross-Coupling: Selective and Facile Access to Triarylamines ACS Catalysis, 2017 |
| 4514080 | CIF | C38 H52 N2 O2 Pd | P 1 21/c 1 | 12.47076; 21.63215; 13.10657 90; 99.47; 90 | 3487.57 | Kim, Jaewoon; Hong, Soon Hyeok Ligand-Promoted Direct C‒H Arylation of Simple Arenes: Evidence for a Cooperative Bimetallic Mechanism ACS Catalysis, 2017, 7, 3336 |
| 4514083 | CIF | C28 H29 N O3 | P -1 | 6.3295; 12.336; 14.619 90.792; 95.813; 96.114 | 1128.8 | Esguerra, Kenneth Virgel N.; Lumb, Jean-Philip A Bioinspired Catalytic Aerobic Functionalization of Phenols: Regioselective Construction of Aromatic C‒N and C‒O Bonds ACS Catalysis, 2017, 7, 3477 |
| 4514084 | CIF | C33 H25 N O4 | P -1 | 9.7185; 15.9184; 15.9702 88.541; 87.598; 85.097 | 2458.84 | Esguerra, Kenneth Virgel N.; Lumb, Jean-Philip A Bioinspired Catalytic Aerobic Functionalization of Phenols: Regioselective Construction of Aromatic C‒N and C‒O Bonds ACS Catalysis, 2017, 7, 3477 |
| 4514085 | CIF | C34 H23 F2 N O5 | P 1 21 1 | 10.0098; 19.235; 13.3175 90; 91.572; 90 | 2563.2 | Esguerra, Kenneth Virgel N.; Lumb, Jean-Philip A Bioinspired Catalytic Aerobic Functionalization of Phenols: Regioselective Construction of Aromatic C‒N and C‒O Bonds ACS Catalysis, 2017, 7, 3477 |
| 4514089 | CIF | C38 H34 Co N4 | P b c a | 19.206; 15.8073; 19.2815 90; 90; 90 | 5853.8 | Maher, Andrew G.; Passard, Guillaume; Dogutan, Dilek K.; Halbach, Robert L.; Anderson, Bryce L.; Gagliardi, Christopher J.; Taniguchi, Masahiko; Lindsey, Jonathan S.; Nocera, Daniel G. Hydrogen Evolution Catalysis by a Sparsely Substituted Cobalt Chlorin ACS Catalysis, 2017, 3597 |
| 4514090 | CIF | C25 H19 N O2 | P 1 21/c 1 | 4.88608; 39.9585; 9.27521 90; 91.1105; 90 | 1810.56 | Herlé, Bart; Holstein, Philipp M.; Echavarren, Antonio M. Stereoselective cis-Vinylcyclopropanation via a Gold(I)-Catalyzed Retro-Buchner Reaction under Mild Conditions. ACS catalysis, 2017, 7, 3668-3675 |
| 4514091 | CIF | C25 H19 N O2 | P -1 | 9.8574; 10.5363; 19.098 83.974; 85.964; 69.875 | 1850.88 | Herlé, Bart; Holstein, Philipp M.; Echavarren, Antonio M. Stereoselective cis-Vinylcyclopropanation via a Gold(I)-Catalyzed Retro-Buchner Reaction under Mild Conditions. ACS catalysis, 2017, 7, 3668-3675 |
| 4514094 | CIF | C62 H65 B Co F24 N O2 P2 | P -1 | 13.0174; 14.9485; 17.504 102.352; 98.18; 99.337 | 3227.4 | Yuwen, Jing; Chakraborty, Sumit; Brennessel, William W.; Jones, William D. Additive-Free Cobalt-Catalyzed Hydrogenation of Esters to Alcohols ACS Catalysis, 2017, 3735 |
| 4514095 | CIF | C74 H75 B Co F24 N O4 P2 | P -1 | 14.722; 16.791; 17.269 99.053; 113.62; 101.693 | 3692.2 | Yuwen, Jing; Chakraborty, Sumit; Brennessel, William W.; Jones, William D. Additive-Free Cobalt-Catalyzed Hydrogenation of Esters to Alcohols ACS Catalysis, 2017, 3735 |
| 4514096 | CIF | C12 H10 O5 | P 21 21 21 | 5.9658; 6.8587; 26.877 90; 90; 90 | 1099.74 | Ji, Jie; Lin, Lili; Tang, Qiong; Kang, Tengfei; Liu, Xiaohua; Feng, Xiaoming Highly Efficient Asymmetric Synthesis of Chiral γ-Alkenyl Butenolides Catalyzed by Chiral N,N′-Dioxide‒Scandium(III) Complexes ACS Catalysis, 2017, 7, 3763 |
| 4514100 | CIF | C60 H54 F18 N12 O4 P3 Ru2 | P -1 | 13.578; 13.579; 13.733 91.45; 100.63; 115.95 | 2222 | Fan, Ting; Duan, Lele; Huang, Ping; Chen, Hong; Daniel, Quentin; Ahlquist, Mårten S. G.; Sun, Licheng The Ru-tpc Water Oxidation Catalyst and Beyond: Water Nucleophilic Attack Pathway versus Radical Coupling Pathway ACS Catalysis, 2017, 7, 2956 |
| 4514101 | CIF | C21 H39 Cl2 Co N P2 | P -1 | 8.2698; 10.9458; 14.8705 98.19; 90.641; 110.333 | 1246.6 | Daw, Prosenjit; Chakraborty, Subrata; Leitus, Gregory; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David Selective N-Formylation of Amines with H2 and CO2 Catalyzed by Cobalt Pincer Complexes ACS Catalysis, 2017, 7, 2500 |
| 4514102 | CIF | C21 H39 Cl Co N P2 | P 1 21/c 1 | 14.2619; 8.3444; 19.9331 90; 96.477; 90 | 2357 | Daw, Prosenjit; Chakraborty, Subrata; Leitus, Gregory; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David Selective N-Formylation of Amines with H2 and CO2 Catalyzed by Cobalt Pincer Complexes ACS Catalysis, 2017, 7, 2500 |
| 4514103 | CIF | C50 H40 Cl N3 O P2 Ru | P n m a | 18.5484; 15.0463; 16.1704 90; 90; 90 | 4512.9 | Sarbajna, Abir; Dutta, Indranil; Daw, Prosenjit; Dinda, Shrabani; Rahaman, S. M. Wahidur; Sarkar, Abheek; Bera, Jitendra K. Catalytic Conversion of Alcohols to Carboxylic Acid Salts and Hydrogen with Alkaline Water ACS Catalysis, 2017, 7, 2786 |
| 4514104 | CIF | C54 H47 Cl5 N4 O P2 Ru | P 1 21/c 1 | 14.2935; 18.4185; 22.7313 90; 108.44; 90 | 5677.1 | Sarbajna, Abir; Dutta, Indranil; Daw, Prosenjit; Dinda, Shrabani; Rahaman, S. M. Wahidur; Sarkar, Abheek; Bera, Jitendra K. Catalytic Conversion of Alcohols to Carboxylic Acid Salts and Hydrogen with Alkaline Water ACS Catalysis, 2017, 7, 2786 |
| 4514105 | CIF | C59 H49 Cl5 N4 O2 P2 Ru2 | P -1 | 11.8324; 14.2246; 18.611 86.239; 84.443; 71.637 | 2956.9 | Sarbajna, Abir; Dutta, Indranil; Daw, Prosenjit; Dinda, Shrabani; Rahaman, S. M. Wahidur; Sarkar, Abheek; Bera, Jitendra K. Catalytic Conversion of Alcohols to Carboxylic Acid Salts and Hydrogen with Alkaline Water ACS Catalysis, 2017, 7, 2786 |
| 4514106 | CIF | C29 H20 F3 N5 O6 Ru S | P -1 | 8.4166; 11.03; 16.025 84.085; 76.9; 69.246 | 1354.52 | Kagalwala, Husain N.; Tong, Lianpeng; Zong, Ruifa; Kohler, Lars; Ahlquist, Mårten S. G.; Fan, Ting; Gagnon, Kevin J.; Thummel, Randolph P. Evidence for Oxidative Decay of a Ru-Bound Ligand during Catalyzed Water Oxidation ACS Catalysis, 2017, 7, 2607 |
| 4514107 | CIF | C13 H15 N O4 | P 21 21 21 | 8.8677; 10.0871; 14.1044 90; 90; 90 | 1261.63 | Tukhvatshin, Rinat S.; Kucherenko, Alexander S.; Nelyubina, Yulia V.; Zlotin, Sergei G. Tertiary Amine-Derived Ionic Liquid-Supported Squaramide as a Recyclable Organocatalyst for Noncovalent “On Water” Catalysis ACS Catalysis, 2017, 7, 2981 |
| 4514108 | CIF | C13 H8 Br Mn N2 O5 | P b a m | 17.7576; 12.9229; 12.7518 90; 90; 90 | 2926.3 | Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R. Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide ACS Catalysis, 2017, 7, 3864 |
| 4514109 | CIF | C15 H12 Br Mn N2 O5 | P 1 21/n 1 | 8.1795; 16.3907; 11.9305 90; 90.478; 90 | 1599.44 | Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R. Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide ACS Catalysis, 2017, 7, 3864 |
| 4514110 | CIF | C13 H10 Br Mn N4 O3 | P 1 21/n 1 | 7.5829; 9.6475; 20.0238 90; 93.812; 90 | 1461.62 | Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R. Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide ACS Catalysis, 2017, 7, 3864 |
| 4514111 | CIF | C16 H11 F3 Mn N3 O8 S | P -1 | 8.9121; 12.7125; 17.6682 84.4838; 86.3815; 83.4002 | 1976.5 | Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R. Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide ACS Catalysis, 2017, 7, 3864 |
| 4514112 | CIF | C18 H15 F3 Mn N3 O8 S | P 1 21/c 1 | 8.19264; 11.4621; 23.0399 90; 92.2861; 90 | 2161.84 | Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R. Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide ACS Catalysis, 2017, 7, 3864 |
| 4514115 | CIF | C44 H61 N O10 S Si | P 1 21 1 | 9.04501; 9.77593; 25.19795 90; 92.5278; 90 | 2225.92 | Liao, Yuting; Zhou, Baixin; Xia, Yong; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming Asymmetric [3 + 2] Cycloaddition of 2,2′-Diester Aziridines To Synthesize Pyrrolidine Derivatives ACS Catalysis, 2017, 7, 3934 |
| 4514116 | CIF | C24 H24 Cl N O5 | P 1 21 1 | 9.975; 8.9417; 12.2426 90; 101.043; 90 | 1071.74 | Mondal, Santigopal; Mukherjee, Subrata; Das, Tamal Kanti; Gonnade, Rajesh; Biju, Akkattu T. N-Heterocyclic Carbene-Catalyzed Aldol-Lactonization of Ketoacids via Dynamic Kinetic Resolution ACS Catalysis, 2017, 3995 |
| 4514117 | CIF | C22 H24 N2 O2 S | P 1 21 1 | 13.226; 6.2835; 13.615 90; 92.018; 90 | 1130.8 | Lin, Tao-Yan; Wu, Hai-Hong; Feng, Jian-Jun; Zhang, Junliang Design and Enantioselective Synthesis of β-Vinyl Tryptamine Building Blocks for Construction of Privileged Chiral Indole Scaffolds ACS Catalysis, 2017, 4047 |
| 4514118 | CIF | C20 H24 Cl N O2 S | P 1 21/c 1 | 9.5931; 12.8055; 15.6673 90; 102.15; 90 | 1881.53 | Zhang, Hongwei; Muñiz, Kilian Selective Piperidine Synthesis Exploiting Iodine-Catalyzed Csp3‒H Amination under Visible Light ACS Catalysis, 2017, 7, 4122 |
| 4514119 | CIF | C19 H22 N2 O4 S | P b c n | 16.4786; 7.779; 28.3488 90; 90; 90 | 3633.9 | Zhang, Hongwei; Muñiz, Kilian Selective Piperidine Synthesis Exploiting Iodine-Catalyzed Csp3‒H Amination under Visible Light ACS Catalysis, 2017, 7, 4122 |
| 4514120 | CIF | C25 H18 | P 1 21/c 1 | 13.316; 20.47; 6.2779 90; 101.369; 90 | 1677.6 | Yu, Liu-Zhu; Wei, Yin; Shi, Min Synthesis of Polysubstituted Polycyclic Aromatic Hydrocarbons by Gold-Catalyzed Cyclization‒Oxidation of Alkylidenecyclopropane-Containing 1,5-Enynes ACS Catalysis, 2017, 7, 4242 |
| 4514121 | CIF | C24 H17 Cl O | P -1 | 9.3854; 9.6615; 11.064 87.814; 68.304; 85.999 | 929.8 | Yu, Liu-Zhu; Wei, Yin; Shi, Min Synthesis of Polysubstituted Polycyclic Aromatic Hydrocarbons by Gold-Catalyzed Cyclization‒Oxidation of Alkylidenecyclopropane-Containing 1,5-Enynes ACS Catalysis, 2017, 7, 4242 |
| 4514122 | CIF | C22 H16 S | P -1 | 4.9712; 11.992; 27.578 79.676; 84.855; 78.156 | 1580.6 | Yu, Liu-Zhu; Wei, Yin; Shi, Min Synthesis of Polysubstituted Polycyclic Aromatic Hydrocarbons by Gold-Catalyzed Cyclization‒Oxidation of Alkylidenecyclopropane-Containing 1,5-Enynes ACS Catalysis, 2017, 7, 4242 |
| 4514123 | CIF | C25 H26 F2 N2 Pt S | P -1 | 9.0052; 10.3193; 13.9951 90.135; 92.418; 94.402 | 1295.52 | Suslick, Benjamin A.; Liberman-Martin, Allegra L.; Wambach, Truman C.; Tilley, T. Don Olefin Hydroarylation Catalyzed by (pyridyl-indolate)Pt(II) Complexes: Catalytic Efficiencies and Mechanistic Aspects ACS Catalysis, 2017, 4313 |
| 4514124 | CIF | C25 H24 F4 N2 Pt S | P -1 | 8.9213; 10.1362; 14.7554 97.236; 90.819; 94.146 | 1319.84 | Suslick, Benjamin A.; Liberman-Martin, Allegra L.; Wambach, Truman C.; Tilley, T. Don Olefin Hydroarylation Catalyzed by (pyridyl-indolate)Pt(II) Complexes: Catalytic Efficiencies and Mechanistic Aspects ACS Catalysis, 2017, 4313 |
| 4514136 | CIF | C19 H27 Cl N3 O P Ru | P b c a | 8.539; 15.0653; 32.9272 90; 90; 90 | 4235.84 | Li, Huaifeng; Wang, Yuan; Lai, Zhiping; Huang, Kuo-Wei Selective Catalytic Hydrogenation of Arenols by a Well-Defined Complex of Ruthenium and Phosphorus‒Nitrogen PN3‒Pincer Ligand Containing a Phenanthroline Backbone ACS Catalysis, 2017, 7, 4446 |
| 4514137 | CIF | C22 H31 Cl N3 O2 P Ru | P 1 21/c 1 | 8.4904; 16.3262; 17.4261 90; 97.79; 90 | 2393.24 | Li, Huaifeng; Wang, Yuan; Lai, Zhiping; Huang, Kuo-Wei Selective Catalytic Hydrogenation of Arenols by a Well-Defined Complex of Ruthenium and Phosphorus‒Nitrogen PN3‒Pincer Ligand Containing a Phenanthroline Backbone ACS Catalysis, 2017, 7, 4446 |
| 4514138 | CIF | C46 H40 Br2 N2 O2 | P -1 | 11.3349; 12.8075; 13.5019 76.483; 84.58; 83.915 | 1890.13 | Liu, Yi; Tse, Ying-Lung Steve; Kwong, Fuk Yee; Yeung, Ying-Yeung Accessing Axially Chiral Biaryls via Organocatalytic Enantioselective Dynamic-Kinetic Resolution-Semipinacol Rearrangement ACS Catalysis, 2017, 4435 |
| 4514139 | CIF | C28 H28 N2 O6 S | P 1 21 1 | 14.93; 11.5659; 15.258 90; 101.808; 90 | 2579 | Claraz, Aurélie; Serpier, Fabien; Darses, Sylvain Organoboron Initiated Rh-Catalyzed Asymmetric Cascade Reactions: A Subtle Switch in Regioselectivity Leading to Chiral 3-Benzazepine Derivatives ACS Catalysis, 2017, 7, 3410 |
| 4514140 | CIF | C42 H30 F6 N2 O4 | P 21 21 21 | 8.8643; 17.5771; 22.5359 90; 90; 90 | 3511.3 | Yang, Wenjun; Sun, Wei; Zhang, Cheng; Wang, Qijun; Guo, Zhenyan; Mao, Biming; Liao, Jianning; Guo, Hongchao Lewis-Base-Catalyzed Asymmetric [3 + 3] Annulation Reaction of Morita‒Baylis‒Hillman Carbonates: Enantioselective Synthesis of Spirocyclohexenes ACS Catalysis, 2017, 7, 3142 |
| 4514141 | CIF | C18 H18 | P 1 21 1 | 9.035; 5.7594; 13.277 90; 100.891; 90 | 678.4 | Herlé, Bart; Holstein, Philipp M.; Echavarren, Antonio M. Stereoselective cis-Vinylcyclopropanation via a Gold(I)-Catalyzed Retro-Buchner Reaction under Mild Conditions. ACS catalysis, 2017, 7, 3668-3675 |
| 4514142 | CIF | C21 H27 N O2 S | P 1 21/n 1 | 11.6983; 13.0767; 13.6557 90; 114.637; 90 | 1898.82 | Zhang, Hongwei; Muñiz, Kilian Selective Piperidine Synthesis Exploiting Iodine-Catalyzed Csp3‒H Amination under Visible Light ACS Catalysis, 2017, 7, 4122 |
| 4514143 | CIF | C19 H21 N O2 S | P 1 21/c 1 | 10.2375; 9.4009; 16.6135 90; 98.412; 90 | 1581.71 | Zhang, Hongwei; Muñiz, Kilian Selective Piperidine Synthesis Exploiting Iodine-Catalyzed Csp3‒H Amination under Visible Light ACS Catalysis, 2017, 7, 4122 |
| 4514151 | CIF | C13 H22 F3 Ir N2 O2 S | I 41 c d | 16.7238; 16.7238; 23.136 90; 90; 90 | 6470.8 | Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito A Bifunctional Iridium Catalyst Modified for Persistent Hydrogen Generation from Formic Acid: Understanding Deactivation via Cyclometalation of a 1,2-Diphenylethylenediamine Motif ACS Catalysis, 2017, 4479 |
| 4514152 | CIF | C25 H28 F3 Ir N2 O2 S | C 1 2 1 | 20.7776; 14.3517; 18.813 90; 111.073; 90 | 5234.75 | Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito A Bifunctional Iridium Catalyst Modified for Persistent Hydrogen Generation from Formic Acid: Understanding Deactivation via Cyclometalation of a 1,2-Diphenylethylenediamine Motif ACS Catalysis, 2017, 4479 |
| 4514153 | CIF | C14 H23 Cl3 F3 Ir N2 O2 S | P 1 21/c 1 | 11.168; 11.884; 16.488 90; 104.162; 90 | 2121.8 | Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito A Bifunctional Iridium Catalyst Modified for Persistent Hydrogen Generation from Formic Acid: Understanding Deactivation via Cyclometalation of a 1,2-Diphenylethylenediamine Motif ACS Catalysis, 2017, 4479 |
| 4514154 | CIF | C16 H11 F5 N3 O7 V | P -1 | 7.8153; 11.0933; 11.0932 78.955; 85.104; 77.783 | 921.55 | Gazi, Sarifuddin; Đokić, Miloš; Moeljadi, Adhitya Mangala Putra; Ganguly, Rakesh; Hirao, Hajime; Soo, Han Sen Kinetics and DFT Studies of Photoredox Carbon‒Carbon Bond Cleavage Reactions by Molecular Vanadium Catalysts under Ambient Conditions ACS Catalysis, 2017, 7, 4682 |
| 4514155 | CIF | C25 H22 Br2 F N O | P 1 21 1 | 13.4096; 5.2499; 16.501 90; 106.995; 90 | 1110.93 | Arimitsu, Satoru; Yonamine, Tsunaki; Higashi, Masahiro Cinchona-Based Primary Amine Catalyzed a Proximal Functionalization of Dienamines: Asymmetric α-Fluorination of α-Branched Enals ACS Catalysis, 2017, 4736 |
| 4514158 | CIF | C14 H13 Cl3 O4 | P 1 21 1 | 7.1346; 14.8376; 15.0064 90; 98.492; 90 | 1571.17 | Cruchter, Thomas; Medvedev, Michael G.; Shen, Xiaodong; Mietke, Thomas; Harms, Klaus; Marsch, Michael; Meggers, Eric Asymmetric Nucleophilic Catalysis with an Octahedral Chiral-at-Metal Iridium(III) Complex ACS Catalysis, 2017, 7, 5151 |
| 4514159 | CIF | C22 H38 Si2 | P 1 21/n 1 | 8.809; 15.299; 16.461 90; 93.573; 90 | 2214.1 | Chen, Jiazhen; Gao, Yanshan; Xiong, Shuoyan; Delferro, Massimiliano; Lohr, Tracy L.; Marks, Tobin J. Metal and Counteranion Nuclearity Effects in Organoscandium-Catalyzed Isoprene Polymerization and Copolymerization ACS Catalysis, 2017, 7, 5214 |
| 4514160 | CIF | C48 H100 O2 Sc2 Si6 | P 1 21/c 1 | 14.3075; 24.95; 17.0373 90; 98.009; 90 | 6022.5 | Chen, Jiazhen; Gao, Yanshan; Xiong, Shuoyan; Delferro, Massimiliano; Lohr, Tracy L.; Marks, Tobin J. Metal and Counteranion Nuclearity Effects in Organoscandium-Catalyzed Isoprene Polymerization and Copolymerization ACS Catalysis, 2017, 7, 5214 |
| 4514161 | CIF | C20 H20 N2 O3 | R 3 | 21.2602; 21.2602; 10.1814 90; 90; 120 | 3985.41 | Reay, Alan J.; Hammarback, L. Anders; Bray, Joshua T. W.; Sheridan, Thomas; Turnbull, David; Whitwood, Adrian C.; Fairlamb, Ian J. S. Mild and Regioselective Pd(OAc)2-Catalyzed C‒H Arylation of Tryptophans by [ArN2]X, Promoted by Tosic Acid ACS Catalysis, 2017, 5174 |
| 4514162 | CIF | C23 H26 N2 O3 | P 1 21 1 | 8.7152; 13.5902; 8.7625 90; 100.507; 90 | 1020.44 | Reay, Alan J.; Hammarback, L. Anders; Bray, Joshua T. W.; Sheridan, Thomas; Turnbull, David; Whitwood, Adrian C.; Fairlamb, Ian J. S. Mild and Regioselective Pd(OAc)2-Catalyzed C‒H Arylation of Tryptophans by [ArN2]X, Promoted by Tosic Acid ACS Catalysis, 2017, 5174 |
| 4514163 | CIF | C20 H19 Cl N2 O3 | R 3 | 20.7806; 20.7806; 11.18107 90; 90; 120 | 4181.48 | Reay, Alan J.; Hammarback, L. Anders; Bray, Joshua T. W.; Sheridan, Thomas; Turnbull, David; Whitwood, Adrian C.; Fairlamb, Ian J. S. Mild and Regioselective Pd(OAc)2-Catalyzed C‒H Arylation of Tryptophans by [ArN2]X, Promoted by Tosic Acid ACS Catalysis, 2017, 5174 |
| 4514164 | CIF | C55 H44 Cl2 N2 O4 | C 1 2 1 | 22.1203; 7.6123; 16.3803 90; 127.077; 90 | 2200.58 | He, Congfa; Hou, Mengqing; Zhu, Zixi; Gu, Zhenhua Enantioselective Synthesis of Indole-Based Biaryl Atropisomers via Palladium-Catalyzed Dynamic Kinetic Intramolecular C‒H Cyclization ACS Catalysis, 2017, 7, 5316 |
| 4514165 | CIF | C29 H31 B O2 | P 21 21 21 | 6.2288; 12.593; 30.216 90; 90; 90 | 2370.1 | Mateos, Jaime; Rivera-Chao, Eva; Fañanás-Mastral, Martín Synergistic Copper/Palladium Catalysis for the Regio- and Stereoselective Synthesis of Borylated Skipped Dienes ACS Catalysis, 2017, 5340 |
| 4514166 | CIF | C9 H14 O4 | P -4 21 c | 12.8527; 12.8527; 10.7921 90; 90; 90 | 1782.77 | Laserna, Victor; Martin, Eddy; Escudero-Adán, Eduardo C.; Kleij, Arjan W. Substrate-Triggered Stereoselective Preparation of Highly Substituted Organic Carbonates ACS Catalysis, 2017, 7, 5478 |
| 4514167 | CIF | C7 H10 O4 | P 1 21/n 1 | 6.5169; 11.8049; 9.5214 90; 105.261; 90 | 706.66 | Laserna, Victor; Martin, Eddy; Escudero-Adán, Eduardo C.; Kleij, Arjan W. Substrate-Triggered Stereoselective Preparation of Highly Substituted Organic Carbonates ACS Catalysis, 2017, 7, 5478 |
| 4514168 | CIF | C7 H10 O4 | P 1 21/n 1 | 8.3814; 7.0296; 12.3499 90; 96.2862; 90 | 723.26 | Laserna, Victor; Martin, Eddy; Escudero-Adán, Eduardo C.; Kleij, Arjan W. Substrate-Triggered Stereoselective Preparation of Highly Substituted Organic Carbonates ACS Catalysis, 2017, 7, 5478 |
| 4514169 | CIF | C42 H29 Cl F6 N2 O3 | P 21 21 21 | 8.9232; 17.371; 23.537 90; 90; 90 | 3648.4 | Yang, Wenjun; Sun, Wei; Zhang, Cheng; Wang, Qijun; Guo, Zhenyan; Mao, Biming; Liao, Jianning; Guo, Hongchao Lewis-Base-Catalyzed Asymmetric [3 + 3] Annulation Reaction of Morita‒Baylis‒Hillman Carbonates: Enantioselective Synthesis of Spirocyclohexenes ACS Catalysis, 2017, 7, 3142 |
| 4514170 | CIF | C34 H30 Cl Co N4 O4 | P b c a | 17.0978; 15.1411; 22.9374 90; 90; 90 | 5938 | Somekh, Miriam; Cohen, Hagai; Diskin-Posner, Yael; Shimon, Linda J. W.; Carmieli, Raanan; Rosenberg, Jeffrey N.; Neumann, Ronny Formation of Alkanes by Aerobic Carbon‒Carbon Bond Coupling Reactions Catalyzed by a Phosphovanadomolybdic Acid ACS Catalysis, 2017, 2725 |
| 4514172 | CIF | C22 H24 O4 | P 21 21 21 | 8.4622; 9.685; 22.9564 90; 90; 90 | 1881.4 | Chong, Qinglei; Yue, Zhenting; Zhang, Shuoqing; Ji, Chonglei; Cheng, Fengchang; Zhang, Haiyan; Hong, Xin; Meng, Fanke N-heterocyclic Carbene‒Cu-Catalyzed Enantioselective Conjugate Additions with Alkenylboronic Esters as Nucleophiles ACS Catalysis, 2017, 5693 |
| 4514173 | CIF | C55.5 H71 O10.5 Rh2 | P 1 21/n 1 | 16.2948; 17.0253; 20.361 90; 103.07; 90 | 5502.3 | Chen, Po-An; Setthakarn, Krit; May, Jeremy A. A Binaphthyl-Based Scaffold for a Chiral Dirhodium(II) Biscarboxylate Ligand with α-Quaternary Carbon Centers ACS Catalysis, 2017, 7, 6155 |
| 4514183 | CIF | C46 H96 O2 Sc2 Si6 | P 1 21/n 1 | 18.2889; 18.1841; 18.6875 90; 111.842; 90 | 5768.7 | Chen, Jiazhen; Gao, Yanshan; Xiong, Shuoyan; Delferro, Massimiliano; Lohr, Tracy L.; Marks, Tobin J. Metal and Counteranion Nuclearity Effects in Organoscandium-Catalyzed Isoprene Polymerization and Copolymerization ACS Catalysis, 2017, 7, 5214 |
| 4514184 | CIF | C19 H12 Au Cl0.25 F6 N O4 | P 1 2/n 1 | 29.449; 4.6494; 29.503 90; 103.649; 90 | 3925.5 | Holmsen, Marte Sofie Martinsen; Nova, Ainara; Balcells, David; Langseth, Eirin; Øien-Ødegaard, Sigurd; Heyn, Richard H.; Tilset, Mats; Laurenczy, Gábor trans-Mutation at Gold(III): A Mechanistic Study of a Catalytic Acetylene Functionalization via a Double Insertion Pathway ACS Catalysis, 2017, 7, 5023 |
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