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 |
|---|---|---|---|---|---|---|
| 4516693 | CIF | C26 H24 N2 O3 | P 1 21 1 | 9.4911; 9.8015; 12.0673 90; 103.604; 90 | 1091.09 | Li, Dan; Wang, Linqing; Yang, Dongxu; Zhang, Bangzhi; Wang, Rui Catalytic Desymmetrization of meso-Aziridines with Benzofuran-2(3H)-Ones Employing a Simple In Situ-Generated Magnesium Catalyst ACS Catalysis, 2015, 5, 7432 |
| 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 |
| 4516720 | CIF | C26 H23 Cl Cu N2 O3 | P b c a | 13.278; 17.113; 20.133 90; 90; 90 | 4574.7 | Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B. Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air ACS Catalysis, 2016, 6, 8332 |
| 4516721 | CIF | C22 H14 Br Cu F3 N2 O2 | P 1 21/c 1 | 12.615; 13.308; 13.396 90; 116.537; 90 | 2012 | Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B. Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air ACS Catalysis, 2016, 6, 8332 |
| 4516722 | CIF | C29 H22 Cl Cu N3 O2 | P 1 21/n 1 | 15.5811; 8.8795; 17.1799 90; 96.394; 90 | 2362.09 | Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B. Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air ACS Catalysis, 2016, 6, 8332 |
| 4516723 | CIF | C22 H17 Cu N3 O5 | P 1 21/n 1 | 7.3869; 17.69; 14.677 90; 90.094; 90 | 1917.9 | Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B. Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air ACS Catalysis, 2016, 6, 8332 |
| 4516724 | CIF | C31 H38 Cu N2 O4 | P -1 | 9.019; 14.953; 20.897 86.86; 85.15; 89.96 | 2804 | Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B. Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air ACS Catalysis, 2016, 6, 8332 |
| 4516725 | CIF | C138 H106 B6 O27 | P -1 | 9.5117; 16.2069; 19.2829 95.824; 98.182; 102.531 | 2845.1 | Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B. Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air ACS Catalysis, 2016, 6, 8332 |
| 4516726 | CIF | C28 H21 N3 O3 | P -1 | 8.4814; 13.8492; 19.5575 86.4189; 81.6947; 73.8739 | 2183.1 | Yamamoto, Yoshihiko; Nishimura, Kei-ichiro; Shibuya, Masatoshi Ruthenium-Catalyzed Cycloisomerization of 1,6-Diynes with Styryl Terminals Leading to Indenylidene Cycloalkanes ACS Catalysis, 2017, 7, 1101 |
| 4516727 | CIF | C33 H40 O7 | P 1 | 6.1366; 11.2261; 11.6894 67.3845; 81.2585; 88.6059 | 734.21 | Eisink, Niek N. H. M.; Witte, Martin D.; Minnaard, Adriaan J. Regioselective Carbohydrate Oxidations: A Nuclear Magnetic Resonance (NMR) Study on Selectivity, Rate, and Side-Product Formation. ACS catalysis, 2017, 7, 1438-1445 |
| 4516728 | CIF | C17 H18 Cl3 F6 N8 P Pd | P -1 | 6.915; 12.31; 14.954 82.822; 83.631; 85.687 | 1252.7 | Schroeter, Felix; Soellner, Johannes; Strassner, Thomas Cross-Coupling Catalysis by an Anionic Palladium Complex ACS Catalysis, 2017, 7, 3004 |
| 4516729 | CIF | C18 H42 Cl3 N O Pd S | P n a 21 | 9.133; 21.693; 12.682 90; 90; 90 | 2512.6 | Schroeter, Felix; Soellner, Johannes; Strassner, Thomas Cross-Coupling Catalysis by an Anionic Palladium Complex ACS Catalysis, 2017, 7, 3004 |
| 4516730 | CIF | C38.5 H40 F9 N6.5 O2.5 S | C 2 2 21 | 13.08003; 23.3536; 26.5956 90; 90; 90 | 8124.05 | Neuvonen, Antti J.; Földes, Tamás; Madarász, Ádám; Pápai, Imre; Pihko, Petri M. Organocatalysts Fold To Generate an Active Site Pocket for the Mannich Reaction ACS Catalysis, 2017, 7, 3284 |
| 4516731 | CIF | C15 H19 N O4 S | P 1 21/c 1 | 12.6954; 5.5859; 22.534 90; 102.103; 90 | 1562.5 | Cao, Tao; Yang, Zheng; Ma, Shengming Selectivities in Nickel-Catalyzed Hydrocarboxylation of Enynes with Carbon Dioxide ACS Catalysis, 2017, 7, 4504 |
| 4516732 | CIF | C23.5 H20 Cl2 N5 O2 Ru | P -1 | 9.0731; 10.4974; 12.7753 98.387; 102.017; 101.29 | 1144.77 | Ono, Takashi; Qu, Shuanglin; Gimbert-Suriñach, Carolina; Johnson, Michelle A.; Marell, Daniel J.; Benet-Buchholz, Jordi; Cramer, Christopher J.; Llobet, Antoni Hydrogenative Carbon Dioxide Reduction Catalyzed by Mononuclear Ruthenium Polypyridyl Complexes: Discerning between Electronic and Steric Effects ACS Catalysis, 2017, 7, 5932 |
| 4516733 | CIF | C31 H26 Cl3 N7 Ru | P 1 21/c 1 | 10.3114; 14.828; 18.855 90; 92.38; 90 | 2880.4 | Ono, Takashi; Qu, Shuanglin; Gimbert-Suriñach, Carolina; Johnson, Michelle A.; Marell, Daniel J.; Benet-Buchholz, Jordi; Cramer, Christopher J.; Llobet, Antoni Hydrogenative Carbon Dioxide Reduction Catalyzed by Mononuclear Ruthenium Polypyridyl Complexes: Discerning between Electronic and Steric Effects ACS Catalysis, 2017, 7, 5932 |
| 4516734 | CIF | C20 H20 N2 O2 S | P -1 | 5.3524; 9.849; 16.789 91.22; 96.68; 91.44 | 878.5 | Li, Long; Chen, Xiu-Mei; Wang, Ze-Shu; Zhou, Bo; Liu, Xin; Lu, Xin; Ye, Long-Wu Reversal of Regioselectivity in Catalytic Arene-Ynamide Cyclization: Direct Synthesis of Valuable Azepino[4,5-b]indoles and β-Carbolines and DFT Calculations ACS Catalysis, 2017, 7, 4004 |
| 4516735 | CIF | C21 H24 N2 O2 S | P 1 21 1 | 9.6188; 16.8151; 11.4121 90; 92.913; 90 | 1843.42 | Li, Long; Chen, Xiu-Mei; Wang, Ze-Shu; Zhou, Bo; Liu, Xin; Lu, Xin; Ye, Long-Wu Reversal of Regioselectivity in Catalytic Arene-Ynamide Cyclization: Direct Synthesis of Valuable Azepino[4,5-b]indoles and β-Carbolines and DFT Calculations ACS Catalysis, 2017, 7, 4004 |
| 4516736 | CIF | C31 H62 B Co N O2 P3 | P -1 | 10.8798; 11.5927; 14.6647 84.709; 78.676; 86.719 | 1804.42 | Obligacion, Jennifer V.; Chirik, Paul J. Mechanistic Studies of Cobalt-Catalyzed C(sp<sup>2</sup>)-H Borylation of Five-Membered Heteroarenes with Pinacolborane. ACS catalysis, 2017, 7, 4366-4371 |
| 4516737 | CIF | C42 H53 B2 N O8 | P n a 21 | 13.029; 31.24; 9.883 90; 90; 90 | 4023 | Chong, Che Chang; Rao, Bin; Kinjo, Rei Metal-Free Catalytic Reduction of α,β-Unsaturated Esters by 1,3,2-Diazaphospholene and Subsequent C‒C Coupling with Nitriles ACS Catalysis, 2017, 7, 5814 |
| 4516738 | CIF | C18 H22 O6 | P -1 | 5.9683; 11.8288; 12.2029 94.8482; 101.631; 100.091 | 824.32 | Chong, Che Chang; Rao, Bin; Kinjo, Rei Metal-Free Catalytic Reduction of α,β-Unsaturated Esters by 1,3,2-Diazaphospholene and Subsequent C‒C Coupling with Nitriles ACS Catalysis, 2017, 7, 5814 |
| 4516739 | CIF | C28 H44 B2 Co F8 N4 P4 | P -1 | 10.0889; 10.4012; 10.9505 114.987; 111.721; 93.719 | 933.62 | Jeletic, Matthew S.; Hulley, Elliott B.; Helm, Monte L.; Mock, Michael T.; Appel, Aaron M.; Wiedner, Eric S.; Linehan, John C. Understanding the Relationship Between Kinetics and Thermodynamics in CO2 Hydrogenation Catalysis ACS Catalysis, 2017, 7, 6008 |
| 4516740 | CIF | C22 H51 B2 Co F8 N P4 | P 1 21/n 1 | 15.0848; 20.0234; 32.3058 90; 91.503; 90 | 9754.6 | Jeletic, Matthew S.; Hulley, Elliott B.; Helm, Monte L.; Mock, Michael T.; Appel, Aaron M.; Wiedner, Eric S.; Linehan, John C. Understanding the Relationship Between Kinetics and Thermodynamics in CO2 Hydrogenation Catalysis ACS Catalysis, 2017, 7, 6008 |
| 4516741 | CIF | C20 H32 Co P4 | A e a 2 | 15.7643; 16.3813; 8.9459 90; 90; 90 | 2310.19 | Jeletic, Matthew S.; Hulley, Elliott B.; Helm, Monte L.; Mock, Michael T.; Appel, Aaron M.; Wiedner, Eric S.; Linehan, John C. Understanding the Relationship Between Kinetics and Thermodynamics in CO2 Hydrogenation Catalysis ACS Catalysis, 2017, 7, 6008 |
| 4516742 | CIF | C78 H60 Cu3 N8 O15 | R -3 :H | 15.598; 15.598; 59.01 90; 90; 120 | 12434 | Wang, Xiao-Kun; Liu, Jiang; Zhang, Lei; Dong, Long-Zhang; Li, Shun-Li; Kan, Yu-He; Li, Dong-Sheng; Lan, Ya-Qian Monometallic Catalytic Models Hosted in Stable Metal‒Organic Frameworks for Tunable CO2 Photoreduction ACS Catalysis, 2019, 9, 1726 |
| 4516743 | CIF | C78 H66 Co3 N8 O18 | R -3 :H | 15.7439; 15.7439; 61.146 90; 90; 120 | 13125.7 | Wang, Xiao-Kun; Liu, Jiang; Zhang, Lei; Dong, Long-Zhang; Li, Shun-Li; Kan, Yu-He; Li, Dong-Sheng; Lan, Ya-Qian Monometallic Catalytic Models Hosted in Stable Metal‒Organic Frameworks for Tunable CO2 Photoreduction ACS Catalysis, 2019, 9, 1726 |
| 4516744 | CIF | C468 H450 N48 Ni18 O135 | R -3 :H | 15.7128; 15.7128; 60.539 90; 90; 120 | 12944.1 | Wang, Xiao-Kun; Liu, Jiang; Zhang, Lei; Dong, Long-Zhang; Li, Shun-Li; Kan, Yu-He; Li, Dong-Sheng; Lan, Ya-Qian Monometallic Catalytic Models Hosted in Stable Metal‒Organic Frameworks for Tunable CO2 Photoreduction ACS Catalysis, 2019, 9, 1726 |
| 4517129 | CIF | C15 H17 N O | P 1 21/c 1 | 11.0739; 11.3132; 10.2916 90; 93.622; 90 | 1286.77 | Zhang, Min; Luo, Anping; Shi, Yang; Su, Rongchuan; Yang, Yudong; You, Jingsong F+ Reagent-Promoted Pd-Catalyzed C7‒H Arylation of 1-Naphthamides ACS Catalysis, 2019, 11802 |
| 4517130 | CIF | C23 H25 N O | P -1 | 7.4537; 10.8662; 12.8697 105.015; 99.127; 100.612 | 965.9 | Zhang, Min; Luo, Anping; Shi, Yang; Su, Rongchuan; Yang, Yudong; You, Jingsong F+ Reagent-Promoted Pd-Catalyzed C7‒H Arylation of 1-Naphthamides ACS Catalysis, 2019, 11802 |
| 4517131 | CIF | C21 H24 O3 | P 1 21/c 1 | 5.8229; 19.461; 15.4449 90; 91.423; 90 | 1749.7 | Chen, Bin; Zhang, Yunxing; Wu, Rui; Fang, Dongmei; Chen, Xiaozhen; Wang, Simin; Zhao, Yuqiong; Hu, Ping; Zhao, Ke-Qing; Wang, Bi-Qin; Cao, Peng Modular Synthesis of 2,8-Dioxabicyclo[3.2.1]octanes by Sequential Catalysis ACS Catalysis, 2019, 11788 |
| 4517147 | CIF | C17 H18 N2 O2 | P 1 | 6.326; 10.0783; 12.7658 69.309; 86.674; 77.439 | 743.01 | Robinson, Donovan J.; Spurlin, Sean P.; Gorden, John D.; Karimov, Rashad R. Enantioselective Synthesis of Dihydropyridines Containing Quaternary Stereocenters Through Dearomatization of Pyridinium Salts ACS Catalysis, 2019, 51 |
| 4517148 | CIF | C17 H21 N O2 | P 1 21 1 | 6.3498; 10.024; 11.8562 90; 98.403; 90 | 746.55 | Robinson, Donovan J.; Spurlin, Sean P.; Gorden, John D.; Karimov, Rashad R. Enantioselective Synthesis of Dihydropyridines Containing Quaternary Stereocenters Through Dearomatization of Pyridinium Salts ACS Catalysis, 2019, 51 |
| 4517149 | CIF | C36 H58 Cl3 F3 N2 O7 P2 Ru2 S | P 1 21/n 1 | 17.416; 15.909; 17.479 90; 111.302; 90 | 4512.1 | Cherepakhin, Valeriy; Williams, Travis J. Catalyst Evolution in Ruthenium-Catalyzed Coupling of Amines and Alcohols ACS Catalysis, 2019, 56 |
| 4517150 | CIF | C44 H71 Cl2 F3 N3 O4 P3 Ru3 S | P 1 21/c 1 | 13.4; 20.266; 19.218 90; 97.812; 90 | 5170 | Cherepakhin, Valeriy; Williams, Travis J. Catalyst Evolution in Ruthenium-Catalyzed Coupling of Amines and Alcohols ACS Catalysis, 2019, 56 |
| 4517162 | CIF | C53 H44 Cl Fe N O3 S | P 1 | 12.2076; 12.7468; 16.7154 75.2715; 69.3507; 63.0204 | 2155.2 | Yoshida, Kazuhiro; Liu, Qiang; Yasue, Risa; Wada, Shiro; Kimura, Ryosuke; Konishi, Takuma; Ogasawara, Masamichi Versatile and Enantioselective Preparation of Planar-Chiral Metallocene-Fused 4-Dialkylaminopyridines and Their Application in Asymmetric Organocatalysis ACS Catalysis, 2019, 292 |
| 4517163 | CIF | C50 H46 Fe N2 | P 21 21 21 | 10.9661; 17.5243; 19.8084 90; 90; 90 | 3806.6 | Yoshida, Kazuhiro; Liu, Qiang; Yasue, Risa; Wada, Shiro; Kimura, Ryosuke; Konishi, Takuma; Ogasawara, Masamichi Versatile and Enantioselective Preparation of Planar-Chiral Metallocene-Fused 4-Dialkylaminopyridines and Their Application in Asymmetric Organocatalysis ACS Catalysis, 2019, 292 |
| 4517164 | CIF | C25 H29 N S | P 1 21 1 | 13.0414; 5.7208; 14.1145 90; 93.997; 90 | 1050.48 | Feng, Sheng; Hao, Hua; Liu, Peng; Buchwald, Stephen L. Diastereo- and Enantioselective CuH-Catalyzed Hydroamination of Strained Trisubstituted Alkenes ACS Catalysis, 2019, 282 |
| 4517165 | CIF | C37 H40 Cl Fe N O P S | P -1 | 9.5205; 13.2892; 14.2405 76.299; 75.44; 73.252 | 1643.39 | Song, Heng; Yang, Zhuoyi; Tung, Chen-Ho; Wang, Wenguang Iron-Catalyzed Reductive Coupling of Nitroarenes with Olefins: Intermediate of Iron‒Nitroso Complex ACS Catalysis, 2019, 276 |
| 4517166 | CIF | C49 H50 Fe O P2 S2 | P 1 21/c 1 | 15.0306; 14.4302; 20.0912 90; 106.058; 90 | 4187.6 | Song, Heng; Yang, Zhuoyi; Tung, Chen-Ho; Wang, Wenguang Iron-Catalyzed Reductive Coupling of Nitroarenes with Olefins: Intermediate of Iron‒Nitroso Complex ACS Catalysis, 2019, 276 |
| 4517167 | CIF | C18 H24 N2 O | P b c a | 11.3428; 11.7215; 24.5548 90; 90; 90 | 3264.67 | Song, Heng; Yang, Zhuoyi; Tung, Chen-Ho; Wang, Wenguang Iron-Catalyzed Reductive Coupling of Nitroarenes with Olefins: Intermediate of Iron‒Nitroso Complex ACS Catalysis, 2019, 276 |
| 4517168 | CIF | C17 H15 N | P b c a | 16.3043; 8.1054; 18.5358 90; 90; 90 | 2449.56 | Song, Heng; Yang, Zhuoyi; Tung, Chen-Ho; Wang, Wenguang Iron-Catalyzed Reductive Coupling of Nitroarenes with Olefins: Intermediate of Iron‒Nitroso Complex ACS Catalysis, 2019, 276 |
| 4517169 | CIF | C11 H22 O2 | P b c a | 9.6851; 7.3807; 31.3965 90; 90; 90 | 2244.31 | Wu, Bin; Zhu, Rong Radical Philicity Inversion in Co- and Fe-Catalyzed Hydrogen-Atom-Transfer-Initiated Cyclizations of Unsaturated Acylsilanes ACS Catalysis, 2019, 10, 510 |
| 4517170 | CIF | C49 H39 N O3 P2 Ru | C 1 2/c 1 | 19.1587; 20.6734; 20.688 90; 107.466; 90 | 7816.2 | Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization ACS Catalysis, 2019, 435 |
| 4517171 | CIF | C21 H19 Cl N4 | P -1 | 8.9649; 9.952; 11.7814 100.554; 105.986; 111.878 | 888.28 | Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization ACS Catalysis, 2019, 435 |
| 4517172 | CIF | C18 H15 F N2 | P 1 21/c 1 | 19.3115; 5.8472; 12.709 90; 106.294; 90 | 1377.44 | Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization ACS Catalysis, 2019, 435 |
| 4517173 | CIF | C33 H29 N2 O2 P Ru | P n a 21 | 16.2264; 9.3716; 17.7053 90; 90; 90 | 2692.4 | Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization ACS Catalysis, 2019, 435 |
| 4517174 | CIF | C55 H53 N O3.5 P2 Ru | P 1 21/n 1 | 11.9019; 15.2039; 24.7562 90; 93.907; 90 | 4469.4 | Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization ACS Catalysis, 2019, 435 |
| 4517175 | CIF | C18 H16 N2 O | P b c a | 18.7085; 6.2302; 24.4878 90; 90; 90 | 2854.24 | Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization ACS Catalysis, 2019, 435 |
| 4517176 | CIF | C18 H15 F N2 O | P 1 21/c 1 | 8.1191; 5.6386; 31.0628 90; 93.276; 90 | 1419.74 | Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization ACS Catalysis, 2019, 435 |
| 4517177 | CIF | C21 H19 F N4 | P 1 21/c 1 | 11.2425; 9.3295; 16.3348 90; 94.764; 90 | 1707.39 | Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization ACS Catalysis, 2019, 435 |
| 4517178 | CIF | C27 H22 N4 O2 | P -1 | 6.3344; 12.4251; 13.9524 106.848; 91.291; 93.64 | 1047.9 | Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization ACS Catalysis, 2019, 435 |
| 4517179 | CIF | C34 H33 B F2 N6 | P -1 | 10.4593; 16.8136; 16.9094 94.418; 94.02; 90.953 | 2956.8 | Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization ACS Catalysis, 2019, 435 |
| 4517180 | CIF | C33 H35 N5 O2 | P 1 21/n 1 | 10.1416; 27.4937; 10.2461 90; 101.977; 90 | 2794.7 | Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization ACS Catalysis, 2019, 435 |
| 4517181 | CIF | C18 H16 N2 | P c a 21 | 12.2928; 6.0102; 36.9034 90; 90; 90 | 2726.5 | Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization ACS Catalysis, 2019, 435 |
| 4517182 | CIF | C30 H29 Mo O2 P S | C 1 2/c 1 | 19.389; 15.694; 17.49 90; 101.224; 90 | 5220 | Hou, Shu-Fen; Chen, Jia-Yi; Xue, Minghui; Jia, Mengjing; Zhai, Xiaofang; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang Cooperative Molybdenum-Thiolate Reactivity for Transfer Hydrogenation of Nitriles ACS Catalysis, 2019, 380 |
| 4517183 | CIF | C34 H38 B2 F8 Mo N3 P S | P -1 | 11.1302; 13.2104; 13.9442 75.533; 73.017; 67.252 | 1786.43 | Hou, Shu-Fen; Chen, Jia-Yi; Xue, Minghui; Jia, Mengjing; Zhai, Xiaofang; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang Cooperative Molybdenum-Thiolate Reactivity for Transfer Hydrogenation of Nitriles ACS Catalysis, 2019, 380 |
| 4517184 | CIF | C30 H32 Mo N P S | P 1 21/n 1 | 11.1248; 18.197; 12.9432 90; 90.632; 90 | 2620.04 | Hou, Shu-Fen; Chen, Jia-Yi; Xue, Minghui; Jia, Mengjing; Zhai, Xiaofang; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang Cooperative Molybdenum-Thiolate Reactivity for Transfer Hydrogenation of Nitriles ACS Catalysis, 2019, 380 |
| 4517185 | CIF | C28 H32 B Mo P S | P 1 21/n 1 | 10.8462; 16.9076; 14.8894 90; 105.26; 90 | 2634.19 | Hou, Shu-Fen; Chen, Jia-Yi; Xue, Minghui; Jia, Mengjing; Zhai, Xiaofang; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang Cooperative Molybdenum-Thiolate Reactivity for Transfer Hydrogenation of Nitriles ACS Catalysis, 2019, 380 |
| 4517213 | CIF | C58 H52 F6 O4 P4 Pd | P 1 21/n 1 | 11.0969; 18.3586; 12.3866 90; 94.46; 90 | 2515.8 | Tay, Dillon W. P.; Nobbs, James D.; Romain, Charles; White, Andrew J. P.; Aitipamula, Srinivasulu; van Meurs, Martin; Britovsek, George J. P. gem-Dialkyl Effect in Diphosphine Ligands: Synthesis, Coordination Behavior, and Application in Pd-Catalyzed Hydroformylation ACS Catalysis, 2019, 10, 663 |
| 4517214 | CIF | C29 H30 Cl2 P2 Pd | P 1 21/c 1 | 11.3082; 17.6113; 13.8182 90; 92.789; 90 | 2748.7 | Tay, Dillon W. P.; Nobbs, James D.; Romain, Charles; White, Andrew J. P.; Aitipamula, Srinivasulu; van Meurs, Martin; Britovsek, George J. P. gem-Dialkyl Effect in Diphosphine Ligands: Synthesis, Coordination Behavior, and Application in Pd-Catalyzed Hydroformylation ACS Catalysis, 2019, 10, 663 |
| 4517215 | CIF | C36 H44 Cl4 P2 Pd | P b c a | 21.8565; 14.7082; 22.7524 90; 90; 90 | 7314.2 | Tay, Dillon W. P.; Nobbs, James D.; Romain, Charles; White, Andrew J. P.; Aitipamula, Srinivasulu; van Meurs, Martin; Britovsek, George J. P. gem-Dialkyl Effect in Diphosphine Ligands: Synthesis, Coordination Behavior, and Application in Pd-Catalyzed Hydroformylation ACS Catalysis, 2019, 10, 663 |
| 4517216 | CIF | C33 H38 Cl2 P2 Pd | P 1 21/n 1 | 11.2984; 20.6157; 14.14 90; 110.081; 90 | 3093.3 | Tay, Dillon W. P.; Nobbs, James D.; Romain, Charles; White, Andrew J. P.; Aitipamula, Srinivasulu; van Meurs, Martin; Britovsek, George J. P. gem-Dialkyl Effect in Diphosphine Ligands: Synthesis, Coordination Behavior, and Application in Pd-Catalyzed Hydroformylation ACS Catalysis, 2019, 10, 663 |
| 4517217 | CIF | C63 H56 B8 O16 | P -1 | 5.1932; 15.4161; 18.5227 72.871; 83.638; 89.832 | 1407.71 | Michigami, Kenichi; Sakaguchi, Tatsuhiko; Takemoto, Yoshiji Catalytic Dehydrative Peptide Synthesis with gem-Diboronic Acids ACS Catalysis, 2019, 10, 683 |
| 4517218 | CIF | C20 H40 O4 S Si4 | P 1 21/c 1 | 22.0893; 9.47947; 14.2315 90; 107.915; 90 | 2835.51 | Zhang, Zhikun; Hu, Xile Arylsilylation of Electron-Deficient Alkenes via Cooperative Photoredox and Nickel Catalysis ACS Catalysis, 2019, 10, 777 |
| 4517264 | CIF | C29 H26 N2 O3 | C 1 2/c 1 | 28.645; 9.1579; 22.276 90; 126.87; 90 | 4675 | Bai, Zibo; Bai, Ziqian; Song, Fangfang; Wang, Hao; Chen, Gong; He, Gang Palladium-Catalyzed Amide-Directed Hydrocarbofunctionalization of 3-Alkenamides with Alkynes ACS Catalysis, 2019, 933 |
| 4517265 | CIF | C24 H21 Br N2 O | P 1 21/n 1 | 7.5427; 6.6034; 39.366 90; 94.005; 90 | 1955.9 | Bai, Zibo; Bai, Ziqian; Song, Fangfang; Wang, Hao; Chen, Gong; He, Gang Palladium-Catalyzed Amide-Directed Hydrocarbofunctionalization of 3-Alkenamides with Alkynes ACS Catalysis, 2019, 933 |
| 4517271 | CIF | C49 H85 Cl O2.5 P2 Pd | P -1 | 11.8057; 15.6134; 15.6605 116.403; 99.017; 106.38 | 2343.1 | Scharf, Lennart T.; Rodstein, Ilja; Schmidt, Michelle; Scherpf, Thorsten; Gessner, Viktoria H. Unraveling the High Activity of Ylide-Functionalized Phosphines in Palladium-Catalyzed Amination Reactions: A Comparative Study with CyJohnPhos and PtBu3 ACS Catalysis, 2019, 999 |
| 4517272 | CIF | C43 H76 Cl N P2 Pd | P -1 | 11.3247; 12.9036; 15.526 86.814; 87.399; 68.191 | 2102.4 | Scharf, Lennart T.; Rodstein, Ilja; Schmidt, Michelle; Scherpf, Thorsten; Gessner, Viktoria H. Unraveling the High Activity of Ylide-Functionalized Phosphines in Palladium-Catalyzed Amination Reactions: A Comparative Study with CyJohnPhos and PtBu3 ACS Catalysis, 2019, 999 |
| 4517273 | CIF | C64 H116 P4 Pd | P -1 | 11.6891; 12.0707; 23.6505 80.935; 76.32; 70.62 | 3047.2 | Scharf, Lennart T.; Rodstein, Ilja; Schmidt, Michelle; Scherpf, Thorsten; Gessner, Viktoria H. Unraveling the High Activity of Ylide-Functionalized Phosphines in Palladium-Catalyzed Amination Reactions: A Comparative Study with CyJohnPhos and PtBu3 ACS Catalysis, 2019, 999 |
| 4517274 | CIF | C40 H51 Cl Cr N3 O3 | P -1 | 6.7438; 15.597; 19.696 68.339; 81.912; 81.492 | 1895.8 | Hooe, Shelby L.; Dressel, Julia M.; Dickie, Diane A.; Machan, Charles W. Highly Efficient Electrocatalytic Reduction of CO2 to CO by a Molecular Chromium Complex ACS Catalysis, 2019, 1146 |
| 4517285 | CIF | C19 H23 N O | P 1 21 1 | 11.2351; 5.6546; 11.98 90; 96.909; 90 | 755.56 | Duewel, Sabine; Schmermund, Luca; Faber, Tabea; Harms, Klaus; Srinivasan, Vasundara; Meggers, Eric; Hoebenreich, Sabrina Directed Evolution of an FeII-Dependent Halogenase for Asymmetric C(sp3)‒H Chlorination ACS Catalysis, 2019, 1272 |
| 4517286 | CIF | C25 H31 N O | P 1 21 1 | 13.5174; 6.0844; 24.6942 90; 92.239; 90 | 2029.4 | Duewel, Sabine; Schmermund, Luca; Faber, Tabea; Harms, Klaus; Srinivasan, Vasundara; Meggers, Eric; Hoebenreich, Sabrina Directed Evolution of an FeII-Dependent Halogenase for Asymmetric C(sp3)‒H Chlorination ACS Catalysis, 2019, 1272 |
| 4517287 | CIF | C25 H31 N O | P 21 21 21 | 9.9772; 10.027; 21.2241 90; 90; 90 | 2123.3 | Duewel, Sabine; Schmermund, Luca; Faber, Tabea; Harms, Klaus; Srinivasan, Vasundara; Meggers, Eric; Hoebenreich, Sabrina Directed Evolution of an FeII-Dependent Halogenase for Asymmetric C(sp3)‒H Chlorination ACS Catalysis, 2019, 1272 |
| 4517292 | CIF | C18 H23 N O | P 41 21 2 | 9.2782; 9.2782; 39.8985 90; 90; 90 | 3434.66 | Zhao, Bin; Shang, Rui; Wang, Guang-Zu; Wang, Shaohong; Chen, Hui; Fu, Yao Palladium-Catalyzed Dual Ligand-Enabled Alkylation of Silyl Enol Ether and Enamide under Irradiation: Scope, Mechanism, and Theoretical Elucidation of Hybrid Alkyl Pd(I)-Radical Species ACS Catalysis, 2020, 1334 |
| 4517293 | CIF | C20 H23 N O | P 1 21/n 1 | 5.6249; 8.6932; 34.663 90; 92.653; 90 | 1693.15 | Zhao, Bin; Shang, Rui; Wang, Guang-Zu; Wang, Shaohong; Chen, Hui; Fu, Yao Palladium-Catalyzed Dual Ligand-Enabled Alkylation of Silyl Enol Ether and Enamide under Irradiation: Scope, Mechanism, and Theoretical Elucidation of Hybrid Alkyl Pd(I)-Radical Species ACS Catalysis, 2020, 1334 |
| 4517294 | CIF | C16 H21 N O3 | P -1 | 6.5339; 8.3328; 15.0376 85.743; 84.357; 77.273 | 793.58 | Zhao, Bin; Shang, Rui; Wang, Guang-Zu; Wang, Shaohong; Chen, Hui; Fu, Yao Palladium-Catalyzed Dual Ligand-Enabled Alkylation of Silyl Enol Ether and Enamide under Irradiation: Scope, Mechanism, and Theoretical Elucidation of Hybrid Alkyl Pd(I)-Radical Species ACS Catalysis, 2020, 1334 |
| 4517295 | CIF | C16 H23 N O3 | P 21 21 21 | 9.47792; 11.47657; 15.35077 90; 90; 90 | 1669.76 | Zhao, Bin; Shang, Rui; Wang, Guang-Zu; Wang, Shaohong; Chen, Hui; Fu, Yao Palladium-Catalyzed Dual Ligand-Enabled Alkylation of Silyl Enol Ether and Enamide under Irradiation: Scope, Mechanism, and Theoretical Elucidation of Hybrid Alkyl Pd(I)-Radical Species ACS Catalysis, 2020, 1334 |
| 4517296 | CIF | C20 H23 N O2 | P 1 21/c 1 | 7.638; 11.3062; 20.7899 90; 95.235; 90 | 1787.86 | Zhao, Bin; Shang, Rui; Wang, Guang-Zu; Wang, Shaohong; Chen, Hui; Fu, Yao Palladium-Catalyzed Dual Ligand-Enabled Alkylation of Silyl Enol Ether and Enamide under Irradiation: Scope, Mechanism, and Theoretical Elucidation of Hybrid Alkyl Pd(I)-Radical Species ACS Catalysis, 2020, 1334 |
| 4517302 | CIF | C69 H61 B F24 N2 Pd | P -1 | 12.7592; 12.8409; 21.6356 85.111; 78.328; 76.463 | 3372.4 | Bermesheva, Evgeniya V.; Wozniak, Alyona I.; Andreyanov, Fedor A.; Karpov, Gleb O.; Nechaev, Mikhail S.; Asachenko, Andrey F.; Topchiy, Maxim A.; Melnikova, Elizaveta K.; Nelyubina, Yulia V.; Gribanov, Pavel S.; Bermeshev, Maxim V. Polymerization of 5-Alkylidene-2-norbornenes with Highly Active Pd‒N-Heterocyclic Carbene Complex Catalysts: Catalyst Structure‒Activity Relationships ACS Catalysis, 2020, 1663-1678 |
| 4517303 | CIF | C37 H49 F6 N2 Pd Sb | P 1 21/c 1 | 13.8611; 16.2187; 16.4272 90; 95.818; 90 | 3674 | Bermesheva, Evgeniya V.; Wozniak, Alyona I.; Andreyanov, Fedor A.; Karpov, Gleb O.; Nechaev, Mikhail S.; Asachenko, Andrey F.; Topchiy, Maxim A.; Melnikova, Elizaveta K.; Nelyubina, Yulia V.; Gribanov, Pavel S.; Bermeshev, Maxim V. Polymerization of 5-Alkylidene-2-norbornenes with Highly Active Pd‒N-Heterocyclic Carbene Complex Catalysts: Catalyst Structure‒Activity Relationships ACS Catalysis, 2020, 1663-1678 |
| 4517304 | CIF | C38 H49.88 B Cl3 F4 N2 Pd | P 1 21/n 1 | 12.2879; 12.5324; 25.74 90; 101.171; 90 | 3888.8 | Bermesheva, Evgeniya V.; Wozniak, Alyona I.; Andreyanov, Fedor A.; Karpov, Gleb O.; Nechaev, Mikhail S.; Asachenko, Andrey F.; Topchiy, Maxim A.; Melnikova, Elizaveta K.; Nelyubina, Yulia V.; Gribanov, Pavel S.; Bermeshev, Maxim V. Polymerization of 5-Alkylidene-2-norbornenes with Highly Active Pd‒N-Heterocyclic Carbene Complex Catalysts: Catalyst Structure‒Activity Relationships ACS Catalysis, 2020, 1663-1678 |
| 4517305 | CIF | C70 H63 B F24 N2 Pd | P -1 | 12.7466; 13.1407; 21.5974 77.667; 83.865; 74.979 | 3408.2 | Bermesheva, Evgeniya V.; Wozniak, Alyona I.; Andreyanov, Fedor A.; Karpov, Gleb O.; Nechaev, Mikhail S.; Asachenko, Andrey F.; Topchiy, Maxim A.; Melnikova, Elizaveta K.; Nelyubina, Yulia V.; Gribanov, Pavel S.; Bermeshev, Maxim V. Polymerization of 5-Alkylidene-2-norbornenes with Highly Active Pd‒N-Heterocyclic Carbene Complex Catalysts: Catalyst Structure‒Activity Relationships ACS Catalysis, 2020, 1663-1678 |
| 4517310 | CIF | C18 H20 N2 | P 1 21/c 1 | 9.2067; 5.9745; 24.769 90; 91.977; 90 | 1361.6 | Padhi, Birakishore; Kang, Geunhee; Kim, Eunmin; Ha, Jeongmin; Kim, Hyun Tae; Lim, Jeewoo; Joo, Jung Min Pd-Catalyzed C‒H Annulation of Five-Membered Heteroaryl Halides with Norbornene Derivatives ACS Catalysis, 2020, 1792-1798 |
| 4517319 | CIF | C18 H18 O | P 1 21/c 1 | 11.5972; 9.6059; 13.0289 90; 107.205; 90 | 1386.49 | Jiang, Cheng; Lu, Hong; Xu, Wen-Hua; Wu, Jianing; Yu, Tian-Yang; Xu, Peng-Fei; Wei, Hao Ni-Catalyzed 1,2-Acyl Migration Reactions Triggered by C‒C Bond Activation of Ketones ACS Catalysis, 2020, 1947-1953 |
| 4517320 | CIF | C22 H21 N O3 | P 1 21/c 1 | 11.3444; 16.6403; 10.0554 90; 103.695; 90 | 1844.23 | Jiang, Cheng; Lu, Hong; Xu, Wen-Hua; Wu, Jianing; Yu, Tian-Yang; Xu, Peng-Fei; Wei, Hao Ni-Catalyzed 1,2-Acyl Migration Reactions Triggered by C‒C Bond Activation of Ketones ACS Catalysis, 2020, 1947-1953 |
| 4517322 | CIF | C36 H42 Fe N4 O6 | P b c a | 12.5702; 16.2085; 33.5599 90; 90; 90 | 6837.6 | Coufourier, Sébastien; Gaignard Gaillard, Quentin; Lohier, Jean-François; Poater, Albert; Gaillard, Sylvain; Renaud, Jean-Luc Hydrogenation of CO2, Hydrogenocarbonate, and Carbonate to Formate in Water using Phosphine Free Bifunctional Iron Complexes ACS Catalysis, 2020, 2108-2116 |
| 4517323 | CIF | C34 H38.5 Fe N4 O6.25 | P b c a | 12.3781; 16.2241; 31.858 90; 90; 90 | 6397.8 | Coufourier, Sébastien; Gaignard Gaillard, Quentin; Lohier, Jean-François; Poater, Albert; Gaillard, Sylvain; Renaud, Jean-Luc Hydrogenation of CO2, Hydrogenocarbonate, and Carbonate to Formate in Water using Phosphine Free Bifunctional Iron Complexes ACS Catalysis, 2020, 2108-2116 |
| 4517324 | CIF | C43 H10 F20 N4 Ni O2 | I -4 2 d | 15.3766; 15.3766; 15.4761 90; 90; 90 | 3659.17 | Wu, Zhuo-Yan; Xue, Haozong; Wang, Teng; Guo, Yanru; Meng, Yin-Shan; Li, Xingguo; Zheng, Jie; Brückner, Christian; Rao, Guodong; Britt, R. David; Zhang, Jun-Long Mimicking of Tunichlorin: Deciphering the Importance of a β-Hydroxyl Substituent on Boosting the Hydrogen Evolution Reaction ACS Catalysis, 2020, 2177-2188 |
| 4517325 | CIF | C43 H8 F20 N4 Ni O2 | I -4 2 d | 15.4016; 15.4016; 15.4334 90; 90; 90 | 3660.95 | Wu, Zhuo-Yan; Xue, Haozong; Wang, Teng; Guo, Yanru; Meng, Yin-Shan; Li, Xingguo; Zheng, Jie; Brückner, Christian; Rao, Guodong; Britt, R. David; Zhang, Jun-Long Mimicking of Tunichlorin: Deciphering the Importance of a β-Hydroxyl Substituent on Boosting the Hydrogen Evolution Reaction ACS Catalysis, 2020, 2177-2188 |
| 4517326 | CIF | C16 H18 Br2 N2 Ni O S | P -1 | 8.379; 9.2459; 12.5657 80.0558; 75.674; 72.1841 | 893 | Yanagi, Tomoyuki; Somerville, Rosie J.; Nogi, Keisuke; Martin, Ruben; Yorimitsu, Hideki Ni-Catalyzed Carboxylation of C(sp2)‒S Bonds with CO2: Evidence for the Multifaceted Role of Zn ACS Catalysis, 2020, 2117-2123 |
| 4517327 | CIF | C28 H24 Br N4 Ni | P b c a | 12.3683; 11.2848; 32.6128 90; 90; 90 | 4551.9 | Yanagi, Tomoyuki; Somerville, Rosie J.; Nogi, Keisuke; Martin, Ruben; Yorimitsu, Hideki Ni-Catalyzed Carboxylation of C(sp2)‒S Bonds with CO2: Evidence for the Multifaceted Role of Zn ACS Catalysis, 2020, 2117-2123 |
| 4517328 | CIF | C57 H60 B F24 P2 Rh | C 1 2 1 | 18.1357; 18.1424; 17.9779 90; 90.1029; 90 | 5915.2 | Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S. Solid‒State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization ACS Catalysis, 2020, 1984-1992 |
| 4517329 | CIF | C56 H56 B F26 P2 Rh | P c c n | 35.55; 17.7103; 18.7565 90; 90; 90 | 11809.1 | Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S. Solid‒State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization ACS Catalysis, 2020, 1984-1992 |
| 4517330 | CIF | C54 H60 B F24 P2 Rh | P 1 21/c 1 | 13.8945; 17.8193; 23.5243 90; 96.457; 90 | 5787.44 | Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S. Solid‒State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization ACS Catalysis, 2020, 1984-1992 |
| 4517331 | CIF | C54 H58 B F24 P2 Rh | P 1 2/n 1 | 17.59335; 18.77356; 35.33268 90; 91.6093; 90 | 11665.4 | Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S. Solid‒State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization ACS Catalysis, 2020, 1984-1992 |
| 4517332 | CIF | C101 H106 B2 Cl2 F48 P4 Rh2 | P 21 21 2 | 24.0564; 18.6694; 12.3508 90; 90; 90 | 5546.97 | Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S. Solid‒State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization ACS Catalysis, 2020, 1984-1992 |
| 4517333 | CIF | C50 H53.94 B F24 P2 Rh | P -1 | 13.4962; 15.0316; 15.0479 86.52; 82.231; 64.562 | 2731.48 | Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S. Solid‒State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization ACS Catalysis, 2020, 1984-1992 |
| 4517334 | CIF | C44 H71 Cl F2 O P2 Pd | P -1 | 12.0444; 14.0441; 25.7109 93.9; 97.182; 92.677 | 4298.3 | Reina, Antonio; Krachko, Tetiana; Onida, Killian; Bouyssi, Didier; Jeanneau, Erwann; Monteiro, Nuno; Amgoune, Abderrahmane Development and Mechanistic Investigations of a Base-Free Suzuki‒Miyaura Cross-Coupling of α,α-Difluoroacetamides via C‒N Bond Cleavage ACS Catalysis, 2020, 2189-2197 |
| 4517335 | CIF | C53 H76.5 F4 N0.5 O3 P2 Pd | P -1 | 13.4397; 18.3716; 21.7868 81.169; 89.195; 73.803 | 5102.3 | Reina, Antonio; Krachko, Tetiana; Onida, Killian; Bouyssi, Didier; Jeanneau, Erwann; Monteiro, Nuno; Amgoune, Abderrahmane Development and Mechanistic Investigations of a Base-Free Suzuki‒Miyaura Cross-Coupling of α,α-Difluoroacetamides via C‒N Bond Cleavage ACS Catalysis, 2020, 2189-2197 |
| 4517336 | CIF | C28 H39 Ag F9 O P | P 1 21/c 1 | 9.8179; 14.1041; 20.6209 90; 99.978; 90 | 2812.24 | Panigrahi, Adyasha; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor Ag/Pd Cocatalyzed Direct Arylation of Fluoroarene Derivatives with Aryl Bromides ACS Catalysis, 2020, 2100-2107 |
| 4517337 | CIF | C104 H172 Ag4 Br4 Cl6 P4 | C 1 2/c 1 | 27.5364; 15.9525; 25.9141 90; 112.975; 90 | 10480.4 | Panigrahi, Adyasha; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor Ag/Pd Cocatalyzed Direct Arylation of Fluoroarene Derivatives with Aryl Bromides ACS Catalysis, 2020, 2100-2107 |
| 4517338 | CIF | C53 H54 Cl2 N2 O3 P Ru | P -1 | 9.051; 12.257; 23.016 99.247; 100.894; 94.83 | 2457 | Eivgi, Or; Vaisman, Anna; Nechmad, Noy B.; Baranov, Mark; Lemcoff, N. Gabriel Latent Ruthenium Benzylidene Phosphite Complexes for Visible-Light-Induced Olefin Metathesis ACS Catalysis, 2020, 2033-2038 |
| 4517339 | CIF | C61 H62 Cl2 N5 O9 P Ru | P 1 21/c 1 | 14.3812; 16.1503; 26.0144 90; 100.411; 90 | 5942.65 | Eivgi, Or; Vaisman, Anna; Nechmad, Noy B.; Baranov, Mark; Lemcoff, N. Gabriel Latent Ruthenium Benzylidene Phosphite Complexes for Visible-Light-Induced Olefin Metathesis ACS Catalysis, 2020, 2033-2038 |
| 4517340 | CIF | C25 H22 N O7 P | P 1 | 5.7494; 9.6543; 10.4417 100.704; 91.306; 94.062 | 567.68 | Trost, Barry M.; Shinde, Anand H.; Wang, Youliang; Zuo, Zhijun; Min, Chang Palladium-Catalyzed Regio-, Enantio-, and Diastereoselective Asymmetric [3 + 2] Cycloaddition Reactions: Synthesis of Chiral Cyclopentyl Phosphonates ACS Catalysis, 2020, 1969-1975 |
| 4517359 | CIF | C12 H12 Cl N O2 | P 21 21 21 | 8.269; 9.9012; 13.5986 90; 90; 90 | 1113.36 | Ren, Xinkun; Chandgude, Ajay L.; Fasan, Rudi Highly Stereoselective Synthesis of Fused Cyclopropane-γ-Lactams via Biocatalytic Iron-Catalyzed Intramolecular Cyclopropanation ACS Catalysis, 2020, 2308-2313 |
| 4517360 | CIF | C12 H13 N O | P 1 21 1 | 5.6803; 9.2798; 9.3092 90; 90.739; 90 | 490.67 | Ren, Xinkun; Chandgude, Ajay L.; Fasan, Rudi Highly Stereoselective Synthesis of Fused Cyclopropane-γ-Lactams via Biocatalytic Iron-Catalyzed Intramolecular Cyclopropanation ACS Catalysis, 2020, 2308-2313 |
| 4517361 | CIF | C30 H35 I N O5 P | P 21 21 21 | 9.1592; 11.449; 27.96 90; 90; 90 | 2932 | Yang, Guo-Hui; Zheng, Hanliang; Li, Xin; Cheng, Jin-Pei Asymmetric Synthesis of Axially Chiral Phosphamides via Atroposelective N-Allylic Alkylation ACS Catalysis, 2020, 2324-2333 |
| 4517365 | CIF | C37 H36 Fe N O P S | P 1 21 1 | 10.9997; 10.5162; 14.1245 90; 106.586; 90 | 1565.87 | Ji, Wangqin; Wu, Hai-Hong; Zhang, Junliang Axially Chiral Biaryl Monophosphine Oxides Enabled by Palladium/WJ-Phos-Catalyzed Asymmetric Suzuki‒Miyaura Cross-coupling ACS Catalysis, 2020, 10, 1548-1554 |
| 4517366 | CIF | C32 H23 O P | P 1 21 1 | 9.5052; 11.4481; 11.0312 90; 93.722; 90 | 1197.84 | Ji, Wangqin; Wu, Hai-Hong; Zhang, Junliang Axially Chiral Biaryl Monophosphine Oxides Enabled by Palladium/WJ-Phos-Catalyzed Asymmetric Suzuki‒Miyaura Cross-coupling ACS Catalysis, 2020, 10, 1548-1554 |
| 4517367 | CIF | C38 H37 Cl3 Fe N O2 P S | P 1 21 1 | 10.3729; 11.5112; 15.6134 90; 106.888; 90 | 1783.91 | Ji, Wangqin; Wu, Hai-Hong; Zhang, Junliang Axially Chiral Biaryl Monophosphine Oxides Enabled by Palladium/WJ-Phos-Catalyzed Asymmetric Suzuki‒Miyaura Cross-coupling ACS Catalysis, 2020, 10, 1548-1554 |
| 4517368 | CIF | C27 H24 F3 N O6 S | P b c a | 13.5499; 15.2341; 24.4346 90; 90; 90 | 5043.8 | Uno, Hiroto; Imai, Takanori; Harada, Kyosuke; Shibata, Norio Synthesis of Highly Functionalized 12-Membered Trifluoromethyl Heterocycles via a Nondecarboxylative Pd-Catalyzed [6 + 6] Annulation ACS Catalysis, 2020, 10, 1454-1459 |
| 4517369 | CIF | C16 H12 F3 N O4 S | P -1 | 8.4561; 8.5762; 12.4229 110.047; 111.941; 90.1156 | 776.24 | Uno, Hiroto; Imai, Takanori; Harada, Kyosuke; Shibata, Norio Synthesis of Highly Functionalized 12-Membered Trifluoromethyl Heterocycles via a Nondecarboxylative Pd-Catalyzed [6 + 6] Annulation ACS Catalysis, 2020, 10, 1454-1459 |
| 4517370 | CIF | C29 H29 F4 N O6 S | P -1 | 9.4313; 11.4154; 13.8509 84.332; 74.645; 85.308 | 1428.55 | Uno, Hiroto; Imai, Takanori; Harada, Kyosuke; Shibata, Norio Synthesis of Highly Functionalized 12-Membered Trifluoromethyl Heterocycles via a Nondecarboxylative Pd-Catalyzed [6 + 6] Annulation ACS Catalysis, 2020, 10, 1454-1459 |
| 4517371 | CIF | C75 H89.83 Co Ga N7 O0 P5 | P -1 | 12.177; 18.604; 20.729 111.648; 101.917; 95.562 | 4192.6 | Vollmer, Matthew V.; Ye, Jingyun; Linehan, John C.; Graziano, Brendan J.; Preston, Andrew; Wiedner, Eric S.; Lu, Connie C. Cobalt-Group 13 Complexes Catalyze CO2 Hydrogenation via a Co(−I)/Co(I) Redox Cycle ACS Catalysis, 2020, 2459-2470 |
| 4517372 | CIF | C79 H98 Co In N7 O P5 | P -1 | 12.2163; 18.704; 20.45 112.181; 100.878; 95.913 | 4170.4 | Vollmer, Matthew V.; Ye, Jingyun; Linehan, John C.; Graziano, Brendan J.; Preston, Andrew; Wiedner, Eric S.; Lu, Connie C. Cobalt-Group 13 Complexes Catalyze CO2 Hydrogenation via a Co(−I)/Co(I) Redox Cycle ACS Catalysis, 2020, 2459-2470 |
| 4517373 | CIF | C42 H64 Al Co N4 P3 | P 1 21 1 | 12.329; 27.522; 12.652 90; 105.97; 90 | 4127 | Vollmer, Matthew V.; Ye, Jingyun; Linehan, John C.; Graziano, Brendan J.; Preston, Andrew; Wiedner, Eric S.; Lu, Connie C. Cobalt-Group 13 Complexes Catalyze CO2 Hydrogenation via a Co(−I)/Co(I) Redox Cycle ACS Catalysis, 2020, 2459-2470 |
| 4517374 | CIF | C82 H132 Co2 Ga2 N8 O P6 | P -1 | 12.4071; 19.343; 19.588 110.472; 97.544; 101.928 | 4201.3 | Vollmer, Matthew V.; Ye, Jingyun; Linehan, John C.; Graziano, Brendan J.; Preston, Andrew; Wiedner, Eric S.; Lu, Connie C. Cobalt-Group 13 Complexes Catalyze CO2 Hydrogenation via a Co(−I)/Co(I) Redox Cycle ACS Catalysis, 2020, 2459-2470 |
| 4517382 | CIF | C20 H23 F3 O Si | P 1 21/c 1 | 13.3534; 19.2873; 14.681 90; 94.714; 90 | 3768.32 | Iwamoto, Hiroaki; Hayashi, Yuta; Ozawa, Yu; Ito, Hajime Silyl-Group-Directed Linear-Selective Allylation of Carbonyl Compounds with Trisubstituted Allylboronates Using a Copper(I) Catalyst ACS Catalysis, 2020, 2471 |
| 4517383 | CIF | C31 H26 Br2 O4 | P 21 21 21 | 9.6286; 10.7523; 25.4679 90; 90; 90 | 2636.68 | Liu, Na; Zhu, Wanjiang; Yao, Jian; Yin, Long; Lu, Tao; Dou, Xiaowei Catalyst-Controlled Chemodivergent Synthesis of Spirochromans from Diarylideneacetones and Organoboronic Acids ACS Catalysis, 2020, 10, 2596-2602 |
| 4517384 | CIF | C24 H20 O3 | P -1 | 7.712; 10.915; 12.298 114.959; 99.228; 100.157 | 891.3 | Liu, Na; Zhu, Wanjiang; Yao, Jian; Yin, Long; Lu, Tao; Dou, Xiaowei Catalyst-Controlled Chemodivergent Synthesis of Spirochromans from Diarylideneacetones and Organoboronic Acids ACS Catalysis, 2020, 10, 2596-2602 |
| 4517385 | CIF | C53 H42 O2 P2 | P 1 21 1 | 8.89; 21.1643; 11.0358 90; 104.694; 90 | 2008.48 | Liu, Na; Zhu, Wanjiang; Yao, Jian; Yin, Long; Lu, Tao; Dou, Xiaowei Catalyst-Controlled Chemodivergent Synthesis of Spirochromans from Diarylideneacetones and Organoboronic Acids ACS Catalysis, 2020, 10, 2596-2602 |
| 4517389 | CIF | C16 H14 N4 O | C 1 2/c 1 | 26.451; 7.875; 13.315 90; 94.256; 90 | 2765.9 | Ohmatsu, Kohsuke; Suzuki, Ryuhei; Furukawa, Yukino; Sato, Makoto; Ooi, Takashi Zwitterionic 1,2,3-Triazolium Amidate as a Catalyst for Photoinduced Hydrogen-Atom Transfer Radical Alkylation ACS Catalysis, 2020, 2627 |
| 4517390 | CIF | C16 H15 Cl N4 O | C 1 2/c 1 | 12.465; 11.018; 22.209 90; 92.386; 90 | 3048 | Ohmatsu, Kohsuke; Suzuki, Ryuhei; Furukawa, Yukino; Sato, Makoto; Ooi, Takashi Zwitterionic 1,2,3-Triazolium Amidate as a Catalyst for Photoinduced Hydrogen-Atom Transfer Radical Alkylation ACS Catalysis, 2020, 2627 |
| 4517391 | CIF | C15 H14 Br Mn N2 O3 S | P -1 | 6.62; 7.8565; 17.0496 83.308; 86.928; 73.022 | 842.15 | Jana, Akash; Das, Kuhali; Kundu, Abhishek; Thorve, Pradip Ramdas; Adhikari, Debashis; Maji, Biplab A Phosphine-Free Manganese Catalyst Enables Stereoselective Synthesis of (1 + n)-Membered Cycloalkanes from Methyl Ketones and 1,n-Diols ACS Catalysis, 2020, 2615 |
| 4517392 | CIF | C14 H12 Br Mn N2 O3 S | P -1 | 7.5394; 9.7257; 11.6722 108.97; 99.234; 101.738 | 768.37 | Jana, Akash; Das, Kuhali; Kundu, Abhishek; Thorve, Pradip Ramdas; Adhikari, Debashis; Maji, Biplab A Phosphine-Free Manganese Catalyst Enables Stereoselective Synthesis of (1 + n)-Membered Cycloalkanes from Methyl Ketones and 1,n-Diols ACS Catalysis, 2020, 2615 |
| 4517394 | CIF | C24 H25 N O3 S | P 1 21 1 | 14.1788; 8.3217; 17.7545 90; 107.843; 90 | 1994.1 | Chin, Kek Foo; Ye, Xinyi; Li, Yongxin; Lee, Richmond; Kabylda, Adil M.; Leow, Dasheng; Zhang, Xin; Xia Ang, Esther Cai; Tan, Choon-Hong Bisguanidinium-Catalyzed Epoxidation of Allylic and Homoallylic Amines under Phase Transfer Conditions ACS Catalysis, 2020, 2684 |
| 4517395 | CIF | C100 H138 N8 O13 W2 | P 1 | 10.9657; 14.7551; 16.165 102.59; 97.3713; 101.976 | 2455.5 | Chin, Kek Foo; Ye, Xinyi; Li, Yongxin; Lee, Richmond; Kabylda, Adil M.; Leow, Dasheng; Zhang, Xin; Xia Ang, Esther Cai; Tan, Choon-Hong Bisguanidinium-Catalyzed Epoxidation of Allylic and Homoallylic Amines under Phase Transfer Conditions ACS Catalysis, 2020, 2684 |
| 4517422 | CIF | C26 H25 F O6 | P 1 21/n 1 | 15.631; 9.89045; 15.9579 90; 113.655; 90 | 2259.77 | Liu, Jian; Vasamsetty, Laxmaiah; Anwar, Muhammad; Yang, Shuang; Xu, Weici; Liu, Jinggong; Nagaraju, Sakkani; Fang, Xinqiang Organocatalyzed Kinetic Resolution of α-Functionalized Ketones: The Malonate Unit Leads the Way ACS Catalysis, 2020, 2882-2893 |
| 4517423 | CIF | C23 H24 O5 | P -1 | 8.4862; 11.6076; 21.8095 81.344; 79.625; 70.309 | 1980.25 | Liu, Jian; Vasamsetty, Laxmaiah; Anwar, Muhammad; Yang, Shuang; Xu, Weici; Liu, Jinggong; Nagaraju, Sakkani; Fang, Xinqiang Organocatalyzed Kinetic Resolution of α-Functionalized Ketones: The Malonate Unit Leads the Way ACS Catalysis, 2020, 2882-2893 |
| 4517424 | CIF | C23 H24 O4 | P 1 21 1 | 10.4234; 6.0234; 15.0661 90; 90.369; 90 | 945.895 | Liu, Jian; Vasamsetty, Laxmaiah; Anwar, Muhammad; Yang, Shuang; Xu, Weici; Liu, Jinggong; Nagaraju, Sakkani; Fang, Xinqiang Organocatalyzed Kinetic Resolution of α-Functionalized Ketones: The Malonate Unit Leads the Way ACS Catalysis, 2020, 2882-2893 |
| 4517425 | CIF | C13 H15 N O2 | P 43 21 2 | 7.97537; 7.97537; 34.7796 90; 90; 90 | 2212.21 | Roque, Jose B.; Kuroda, Yusuke; Jurczyk, Justin; Xu, Li-Ping; Ham, Jin Su; Göttemann, Lucas T.; Roberts, Charis A.; Adpressa, Donovon; Saurí, Josep; Joyce, Leo A.; Musaev, Djamaladdin G.; Yeung, Charles S.; Sarpong, Richmond C‒C Cleavage Approach to C‒H Functionalization of Saturated Aza-Cycles ACS Catalysis, 2020, 2929-2941 |
| 4517426 | CIF | C13 H15 N O2 | P 41 21 2 | 7.97639; 7.97639; 34.7863 90; 90; 90 | 2213.2 | Roque, Jose B.; Kuroda, Yusuke; Jurczyk, Justin; Xu, Li-Ping; Ham, Jin Su; Göttemann, Lucas T.; Roberts, Charis A.; Adpressa, Donovon; Saurí, Josep; Joyce, Leo A.; Musaev, Djamaladdin G.; Yeung, Charles S.; Sarpong, Richmond C‒C Cleavage Approach to C‒H Functionalization of Saturated Aza-Cycles ACS Catalysis, 2020, 2929-2941 |
| 4517427 | CIF | C13 H15 N O2 | P 1 21/c 1 | 8.6719; 15.1388; 9.5746 90; 116.469; 90 | 1125.21 | Roque, Jose B.; Kuroda, Yusuke; Jurczyk, Justin; Xu, Li-Ping; Ham, Jin Su; Göttemann, Lucas T.; Roberts, Charis A.; Adpressa, Donovon; Saurí, Josep; Joyce, Leo A.; Musaev, Djamaladdin G.; Yeung, Charles S.; Sarpong, Richmond C‒C Cleavage Approach to C‒H Functionalization of Saturated Aza-Cycles ACS Catalysis, 2020, 2929-2941 |
| 4517428 | CIF | C105 H64 F45 P5 Ru2 | P -1 | 14.853; 18.958; 22.386 105.048; 92.216; 95.751 | 6043 | Estes, Deven P.; Leutzsch, Markus; Schubert, Lukas; Bordet, Alexis; Leitner, Walter Effect of Ligand Electronics on the Reversible Catalytic Hydrogenation of CO2 to Formic Acid Using Ruthenium Polyhydride Complexes: A Thermodynamic and Kinetic Study ACS Catalysis, 2020, 2990-2998 |
| 4517429 | CIF | C20 H17 Br N O | P 1 21 1 | 5.166; 13.624; 24.035 90; 95.88; 90 | 1682.72 | Lemay, Jean-Christian; Dong, Yi; Albert, Vincent; Inouye, Monica; Groves, Michael N.; Boukouvalas, John; McBreen, Peter H. Relative Abundances of Surface Diastereomeric Complexes Formed by Two Chiral Modifiers That Differ by a Methyl Group ACS Catalysis, 2020, 3034-3041 |
| 4517431 | CIF | C37 H51 Cl F3 N7 O3 S Zn | P 1 21/c 1 | 12.4934; 24.7612; 13.0442 90; 95.7511; 90 | 4014.93 | Drummond, Michael J.; Miller, Tabitha J.; Ford, Courtney L.; Fout, Alison R. Catalytic Perchlorate Reduction Using Iron: Mechanistic Insights and Improved Catalyst Turnover ACS Catalysis, 2020, 3175-3182 |
| 4517435 | CIF | C94 H88 B Br2 Co F24 N6 O8 S2 | P 21 21 21 | 18.4403; 25.068; 25.5947 90; 90; 90 | 11831.4 | Kabes, Connor Q.; Maximuck, William J.; Ghosh, Subrata K.; Kumar, Anil; Bhuvanesh, Nattamai; Gladysz, John A. Chiral Tricationic Tris(1,2-diphenylethylenediamine) Cobalt(III) Hydrogen Bond Donor Catalysts with Defined Carbon/Metal Configurations; Matched/Mismatched Effects upon Enantioselectivities with Enantiomeric Chiral Counter Anions ACS Catalysis, 2020, 3249-3263 |
| 4517436 | CIF | C18 H23 B F3 N O4 | P 21 21 21 | 6.2697; 10.8812; 27.9823 90; 90; 90 | 1909 | Fan, Dongyang; Zhang, Jian; Hu, Yanhua; Zhang, Zhenfeng; Gridnev, Ilya D.; Zhang, Wanbin Asymmetric Hydrogenation of α-Boryl Enamides Enabled by Nonbonding Interactions ACS Catalysis, 2020, 3232-3240 |
| 4517437 | CIF | C14 H15 N O S | P 1 21 1 | 8.3309; 6.6556; 10.916 90; 96.337; 90 | 601.6 | Kim, Alexia N.; Ngamnithiporn, Aurapat; Welin, Eric R.; Daiger, Martin T.; Grünanger, Christian U.; Bartberger, Michael D.; Virgil, Scott C.; Stoltz, Brian M. Iridium-Catalyzed Enantioselective and Diastereoselective Hydrogenation of 1,3-Disubstituted Isoquinolines ACS Catalysis, 2020, 3241-3248 |
| 4517439 | CIF | C19 H14 O3 | P 1 21/n 1 | 11.3197; 15.6008; 16.353 90; 102.492; 90 | 2819.51 | Rajesh, U. Chinna; Losovyj, Yaroslav; Chen, Chun-Hsing; Zaleski, Jeffrey M. Designing Synergistic Nanocatalysts for Multiple Substrate Activation: Interlattice Ag‒Fe3O4 Hybrid Materials for CO2-Inserted Lactones ACS Catalysis, 2020, 3349-3359 |
| 4517446 | CIF | C56 H99 B3 Ir N2 O7 Si2 | P -1 | 14.4073; 14.9016; 16.512 104.953; 111.191; 99.539 | 3058.53 | Larsen, Matthew A.; Oeschger, Raphael J.; Hartwig, John F. Effect of Ligand Structure on the Electron Density and Activity of Iridium Catalysts for the Borylation of Alkanes ACS Catalysis, 2020, 3415-3424 |
| 4517447 | CIF | C43 H48 Cl2 N6 O12 Pd2 S2 | P -1 | 10.69; 11.3617; 11.7062 62.2925; 85.46; 73.2316 | 1202.7 | Cendón, Borja; Font, Marc; Mascareñas, José L.; Gul\?ías, Moisés Palladium-Catalyzed Formal (4+2) Cycloaddition between Alkyl Amides and Dienes Initiated by the Activation of C(sp3)‒H Bonds ACS Catalysis, 2020, 3425-3430 |
| 4517448 | CIF | C21 H22 N2 O5 S | C 1 2/c 1 | 22.973; 6.9135; 25.839 90; 106.258; 90 | 3939.7 | Cendón, Borja; Font, Marc; Mascareñas, José L.; Gul\?ías, Moisés Palladium-Catalyzed Formal (4+2) Cycloaddition between Alkyl Amides and Dienes Initiated by the Activation of C(sp3)‒H Bonds ACS Catalysis, 2020, 3425-3430 |
| 4517449 | CIF | C21 H22 N4 O5 Pd S | P -1 | 6.5642; 18.183; 18.879 89.513; 86.524; 85.366 | 2241.8 | Cendón, Borja; Font, Marc; Mascareñas, José L.; Gul\?ías, Moisés Palladium-Catalyzed Formal (4+2) Cycloaddition between Alkyl Amides and Dienes Initiated by the Activation of C(sp3)‒H Bonds ACS Catalysis, 2020, 3425-3430 |
| 4517450 | CIF | C25 H25 Cl2 N3 O Pd | P -1 | 9.0308; 11.8072; 11.9867 97.855; 105.716; 105.33 | 1156.3 | Cendón, Borja; Font, Marc; Mascareñas, José L.; Gul\?ías, Moisés Palladium-Catalyzed Formal (4+2) Cycloaddition between Alkyl Amides and Dienes Initiated by the Activation of C(sp3)‒H Bonds ACS Catalysis, 2020, 3425-3430 |
| 4517455 | CIF | C15 H15 Br O4 | P 21 21 21 | 10.2207; 11.4378; 12.3943 90; 90; 90 | 1448.9 | Chen, Jun-Bo; Xu, Man; Zhang, Jun-Qi; Sun, Bing-Bing; Hu, Jia-Ming; Yu, Jie-Qiang; Wang, Xing-Wang; Xia, Yuanzhi; Wang, Zheng Modular Chiral Bisoxalamide‒Copper-Catalyzed Asymmetric Oxo-Diels‒Alder Reaction: Carbonyl Coordination for High Enantio- and Diastereocontrols ACS Catalysis, 2020, 3556 |
| 4517456 | CIF | C61 H86 Cl2 N8 O8 | P 1 21 1 | 12.5285; 16.597; 14.9439 90; 93.876; 90 | 3100.26 | Chen, Jun-Bo; Xu, Man; Zhang, Jun-Qi; Sun, Bing-Bing; Hu, Jia-Ming; Yu, Jie-Qiang; Wang, Xing-Wang; Xia, Yuanzhi; Wang, Zheng Modular Chiral Bisoxalamide‒Copper-Catalyzed Asymmetric Oxo-Diels‒Alder Reaction: Carbonyl Coordination for High Enantio- and Diastereocontrols ACS Catalysis, 2020, 3556 |
| 4517457 | CIF | C20 H26 | P 1 21/c 1 | 21.059; 5.9199; 13.2305 90; 99.636; 90 | 1626.1 | Mato, Mauro; García-Morales, Cristina; Echavarren, Antonio M. Synthesis of Trienes by Rhodium-Catalyzed Assembly and Disassembly of Non-Acceptor Cyclopropanes ACS Catalysis, 2020, 3564 |
| 4517458 | CIF | C24 H25 N O4 | P 1 21 1 | 25.487; 9.845; 26.272 90; 110.11; 90 | 6190 | Feng, Jiaxu; Huang, You Phosphine-Catalyzed Remote 1,7-Addition for Synthesis of Diene Carboxylates ACS Catalysis, 2020, 3541 |
| 4517459 | CIF | C22 H23 N O5 | P 1 21/c 1 | 13.199; 17.845; 8.5547 90; 98.41; 90 | 1993.3 | Feng, Jiaxu; Huang, You Phosphine-Catalyzed Remote 1,7-Addition for Synthesis of Diene Carboxylates ACS Catalysis, 2020, 3541 |
| 4517461 | CIF | C24 H17 F2 N O2 | P -1 | 9.3619; 10.2474; 11.0622 73.881; 65.949; 83.137 | 931 | Luo, Kaixiu; Mao, Shuai; He, Kun; Yu, Xianglin; Pan, Junhong; Lin, Jun; Shao, Zhihui; Jin, Yi Highly Regioselective Synthesis of Multisubstituted Pyrroles via Ag-Catalyzed [4+1C]insert Cascade ACS Catalysis, 2020, 3733 |
| 4517462 | CIF | C24 H21 N O3 | P 1 21/c 1 | 17.623; 8.753; 12.749 90; 99.38; 90 | 1940.3 | Luo, Kaixiu; Mao, Shuai; He, Kun; Yu, Xianglin; Pan, Junhong; Lin, Jun; Shao, Zhihui; Jin, Yi Highly Regioselective Synthesis of Multisubstituted Pyrroles via Ag-Catalyzed [4+1C]insert Cascade ACS Catalysis, 2020, 3733 |
| 4517476 | CIF | C23 H33 Br O | P 1 21/c 1 | 15.7036; 13.5822; 9.9735 90; 97.264; 90 | 2110.2 | Takahashi, Toshifumi; Kurahashi, Takuya; Matsubara, Seijiro Nickel-Catalyzed Intermolecular Carbobromination of Alkynes ACS Catalysis, 2020, 10, 3773-3777 |
| 4517477 | CIF | C20 H21 Br O | P -1 | 9.0497; 11.0964; 17.4034 80.749; 86.494; 89.645 | 1721.66 | Takahashi, Toshifumi; Kurahashi, Takuya; Matsubara, Seijiro Nickel-Catalyzed Intermolecular Carbobromination of Alkynes ACS Catalysis, 2020, 10, 3773-3777 |
| 4517478 | CIF | C93 H27 F30 Fe2 N13 | P -1 | 14.7609; 16.1284; 20.1218 73.575; 89.177; 66.103 | 4173.5 | Sinha, Woormileela; Mahammed, Atif; Fridman, Natalia; Gross, Zeev Water Oxidation Catalysis by Mono- and Binuclear Iron Corroles ACS Catalysis, 2020, 3764 |
| 4517479 | CIF | C51 H27 Co F6 N6 | C 1 2/c 1 | 36.007; 12.107; 18.503 90; 90.893; 90 | 8065 | Sinha, Woormileela; Mahammed, Atif; Fridman, Natalia; Gross, Zeev Water Oxidation Catalysis by Mono- and Binuclear Iron Corroles ACS Catalysis, 2020, 3764 |
| 4517480 | CIF | C156 H92 Fe4 N16 O2 | P -1 | 15.257; 17.202; 25.355 83.153; 79.357; 71.301 | 6181.9 | Sinha, Woormileela; Mahammed, Atif; Fridman, Natalia; Gross, Zeev Water Oxidation Catalysis by Mono- and Binuclear Iron Corroles ACS Catalysis, 2020, 3764 |
| 4517481 | CIF | C21 H24 N4 O | P -1 | 9.6626; 10.1376; 11.1294 97.909; 105.084; 114.113 | 923.2 | Tan, Jin-Fay; Bormann, Carl Thomas; Severin, Kay; Cramer, Nicolai Alkynyl Triazenes as Fluoroalkyne Surrogates: Regioselective Access to 4-Fluoro-2-pyridones by a Rh(III)-Catalyzed C‒H Activation‒Lossen Rearrangement‒Wallach Reaction ACS Catalysis, 2020, 10, 3790-3796 |
| 4517482 | CIF | C18 H14 F N O | P -1 | 10.2367; 11.4102; 13.7829 109.851; 92.169; 112.466 | 1373.04 | Tan, Jin-Fay; Bormann, Carl Thomas; Severin, Kay; Cramer, Nicolai Alkynyl Triazenes as Fluoroalkyne Surrogates: Regioselective Access to 4-Fluoro-2-pyridones by a Rh(III)-Catalyzed C‒H Activation‒Lossen Rearrangement‒Wallach Reaction ACS Catalysis, 2020, 10, 3790-3796 |
| 4517483 | CIF | C61 H58 Co O5 P3 | P 1 21/n 1 | 15.294; 15.9747; 22.8893 90; 109.52; 90 | 5270.8 | Chen, Jia-Feng; Li, Changkun Cobalt-Catalyzed gem-Cross-Dimerization of Terminal Alkynes ACS Catalysis, 2020, 3881 |
| 4517484 | CIF | C57 H43 Co O6 P3 | P 21 21 21 | 11.1714; 19.5049; 22.2984 90; 90; 90 | 4858.8 | Chen, Jia-Feng; Li, Changkun Cobalt-Catalyzed gem-Cross-Dimerization of Terminal Alkynes ACS Catalysis, 2020, 3881 |
| 4517495 | CIF | C27 H34 O3 | P 21 21 21 | 7.447; 14.6245; 19.8929 90; 90; 90 | 2166.51 | Zhuo, Junming; Zhang, Yong; Li, Zijian; Li, Chao Nickel-Catalyzed Direct Acylation of Aryl and Alkyl Bromides with Acylimidazoles ACS Catalysis, 2020, 10, 3895-3903 |
| 4517496 | CIF | C39 H54 O5 | C 1 2 1 | 12.2802; 7.2838; 37.4807 90; 90.803; 90 | 3352.2 | Zhuo, Junming; Zhang, Yong; Li, Zijian; Li, Chao Nickel-Catalyzed Direct Acylation of Aryl and Alkyl Bromides with Acylimidazoles ACS Catalysis, 2020, 10, 3895-3903 |
| 4517497 | CIF | C22 H32 O4 | P 1 21 1 | 5.9236; 13.586; 12.496 90; 100.7; 90 | 988.2 | Zhuo, Junming; Zhang, Yong; Li, Zijian; Li, Chao Nickel-Catalyzed Direct Acylation of Aryl and Alkyl Bromides with Acylimidazoles ACS Catalysis, 2020, 10, 3895-3903 |
| 4517502 | CIF | C20 H37 Cl3 N P Pd | C 1 2/c 1 | 17.846; 15.0741; 18.2288 90; 94.492; 90 | 4888.71 | Hu, Huaiyuan; Gilliam, Ashley M.; Qu, Fengrui; Shaughnessy, Kevin H. Enolizable Ketones as Activators of Palladium(II) Precatalysts in Amine Arylation Reactions ACS Catalysis, 2020, 10, 4127-4135 |
| 4517513 | CIF | C86 H64 B Co F24 P4 | P 1 21/c 1 | 16.6366; 12.7954; 37.4749 90; 101.172; 90 | 7826.2 | Gray, Montgomery; Hines, Michael T.; Parsutkar, Mahesh M.; Wahlstrom, A. J.; Brunelli, Nicholas A.; RajanBabu, T. V. Mechanism of Cobalt-Catalyzed Heterodimerization of Acrylates and 1,3-Dienes. A Potential Role of Cationic Cobalt(I) Intermediates ACS Catalysis, 2020, 10, 4337-4348 |
| 4517514 | CIF | C58 H60 Br3 Co O P4 Zn | P 1 21/c 1 | 14.1589; 17.0352; 24.3773 90; 100.025; 90 | 5790 | Gray, Montgomery; Hines, Michael T.; Parsutkar, Mahesh M.; Wahlstrom, A. J.; Brunelli, Nicholas A.; RajanBabu, T. V. Mechanism of Cobalt-Catalyzed Heterodimerization of Acrylates and 1,3-Dienes. A Potential Role of Cationic Cobalt(I) Intermediates ACS Catalysis, 2020, 10, 4337-4348 |
| 4517519 | CIF | C21 H18 N2 O | P 1 21/c 1 | 10.2077; 19.7705; 8.1575 90; 97.395; 90 | 1632.58 | Zhu, Cuiju; Kuniyil, Rositha; Jei, Becky B.; Ackermann, Lutz Domino C‒H Activation/Directing Group Migration/Alkyne Annulation: Unique Selectivity by d6-Cobalt(III) Catalysts ACS Catalysis, 2020, 10, 4444-4450 |
| 4517520 | CIF | C22 H20 N2 O | P -1 | 9.0581; 9.9273; 10.2645 105.947; 96.819; 97.151 | 869.2 | Zhu, Cuiju; Kuniyil, Rositha; Jei, Becky B.; Ackermann, Lutz Domino C‒H Activation/Directing Group Migration/Alkyne Annulation: Unique Selectivity by d6-Cobalt(III) Catalysts ACS Catalysis, 2020, 10, 4444-4450 |
| 4517521 | CIF | C25 H20 N2 O | P -1 | 8.7963; 10.354; 11.5419 110.43; 100.373; 101.27 | 930.16 | Zhu, Cuiju; Kuniyil, Rositha; Jei, Becky B.; Ackermann, Lutz Domino C‒H Activation/Directing Group Migration/Alkyne Annulation: Unique Selectivity by d6-Cobalt(III) Catalysts ACS Catalysis, 2020, 10, 4444-4450 |
| 4517522 | CIF | C39 H45 F3 N2 O5 P Rh S | P 1 21 1 | 10.0207; 19.056; 10.3059 90; 105.173; 90 | 1899.4 | Xu, Wen-Bin; Ghorai, Samir; Huang, Wenyu; Li, Changkun Rh(I)/Bisoxazolinephosphine-Catalyzed Regio- and Enantioselective Allylic Substitutions ACS Catalysis, 2020, 4491-4496 |
| 4517523 | CIF | C35 H40 Cl F3 N2 O5 P Rh S | P 43 21 2 | 10.9434; 10.9434; 60.442 90; 90; 90 | 7238.4 | Xu, Wen-Bin; Ghorai, Samir; Huang, Wenyu; Li, Changkun Rh(I)/Bisoxazolinephosphine-Catalyzed Regio- and Enantioselective Allylic Substitutions ACS Catalysis, 2020, 4491-4496 |
| 4517527 | CIF | C25 H19 F5 N2 | P 1 21 1 | 8.43; 11.6177; 10.918 90; 108.357; 90 | 1014.87 | Li, Jiuling; Zhang, Dan; Chen, Jianghui; Ma, Chaoqun; Hu, Wenhao Enantioselective Synthesis of Fluoroalkyl-Substituted syn-Diamines by the Asymmetric gem-Difunctionalization of 2,2,2-Trifluorodiazoethane ACS Catalysis, 2020, 4559-4565 |
| 4517528 | CIF | C42 H64 N Ni P2 | P 1 21/c 1 | 11.8848; 19.0951; 17.618 90; 105.834; 90 | 3846.55 | Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study ACS Catalysis, 2020, 4630-4639 |
| 4517529 | CIF | C40 H64 Ni P2 S | P 1 21/n 1 | 11.7655; 14.098; 22.4255 90; 93.047; 90 | 3714.46 | Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study ACS Catalysis, 2020, 4630-4639 |
| 4517530 | CIF | C52 H96 Ni P4 | P -1 | 12.7568; 12.7744; 17.1688 73.619; 89.592; 75.811 | 2596.58 | Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study ACS Catalysis, 2020, 4630-4639 |
| 4517531 | CIF | C33 H56 Br2 Ni P2 | P 1 21/c 1 | 12.2203; 18.687; 15.2866 90; 99.052; 90 | 3447.38 | Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study ACS Catalysis, 2020, 4630-4639 |
| 4517532 | CIF | C13 H13 N O2 S | P 1 21/n 1 | 14.4888; 5.6004; 15.206 90; 109.454; 90 | 1163.42 | Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study ACS Catalysis, 2020, 4630-4639 |
| 4517533 | CIF | C36 H61 Br Ni O P2 | P 1 21/n 1 | 10.5652; 22.4696; 15.3099 90; 105.292; 90 | 3505.82 | Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study ACS Catalysis, 2020, 4630-4639 |
| 4517534 | CIF | C14 H19 N | P 1 21/c 1 | 10.6205; 8.92; 11.9761 90; 97.617; 90 | 1124.54 | Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study ACS Catalysis, 2020, 4630-4639 |
| 4517536 | CIF | C22 H19 Br F3 N2 Ni | P -1 | 9.3825; 10.3799; 11.1183 76.894; 89.918; 73.255 | 1007.51 | Rand, Alexander W.; Yin, Hongfei; Xu, Liang; Giacoboni, Jessica; Martin-Montero, Raul; Romano, Ciro; Montgomery, John; Martin, Ruben Dual Catalytic Platform for Enabling sp3 α C‒H Arylation and Alkylation of Benzamides ACS Catalysis, 2020, 4671 |
| 4517537 | CIF | C22 H34 B2 O2 | P 1 21/c 1 | 15.0776; 6.6335; 21.5511 90; 102.6; 90 | 2103.57 | Docherty, Jamie H.; Nicholson, Kieran; Dominey, Andrew P.; Thomas, Stephen P. A Boron‒Boron Double Transborylation Strategy for the Synthesis of gem-Diborylalkanes ACS Catalysis, 2020, 4686 |
| 4517546 | CIF | C84 H184 N3 O37 Sb Si3 Ti W9 | P 1 21/n 1 | 17.7721; 28.9182; 23.5633 90; 90.112; 90 | 12110 | Solé-Daura, Albert; Zhang, Teng; Fouilloux, Hugo; Robert, Carine; Thomas, Christophe M.; Chamoreau, Lise-Marie; Carbó, Jorge J.; Proust, Anna; Guillemot, Geoffroy; Poblet, Josep M. Catalyst Design for Alkene Epoxidation by Molecular Analogues of Heterogeneous Titanium-Silicalite Catalysts ACS Catalysis, 2020, 4737 |
| 4517547 | CIF | C17 H22 O2 | P 1 21 1 | 15.249; 6.1775; 16.2653 90; 113.939; 90 | 1400.4 | Dai, Zhen-Yao; Nong, Zhong-Sheng; Wang, Pu-Sheng Light-Mediated Asymmetric Aliphatic C‒H Alkylation with Hydrogen Atom Transfer Catalyst and Chiral Phosphoric Acid ACS Catalysis, 2020, 10, 4786-4790 |
| 4517552 | CIF | C37 H43 Cl4 N3 O Ru S | P 1 21/n 1 | 10.081; 26.6065; 14.0765 90; 105.018; 90 | 3646.6 | Segalovich-Gerendash, Gal; Rozenberg, Illya; Alassad, Nebal; Nechmad, Noy B.; Goldberg, Israel; Kozuch, Sebastian; Lemcoff, N. Gabriel Imposing Latency in Ruthenium Sulfoxide-Chelated Benzylidenes: Expanding Opportunities for Thermal and Photoactivation in Olefin Metathesis ACS Catalysis, 2020, 4827 |
| 4517553 | CIF | C42.65 H53 Ag Cl5.29 I N6 O8.35 S | P 1 21/n 1 | 12.4359; 16.0865; 26.638 90; 98.824; 90 | 5265.9 | Elkoush, Tasneem; Mak, Choi L.; Paley, Daniel W.; Campbell, Michael G. Silver(II) and Silver(III) Intermediates in Alkene Aziridination with a Dinuclear Silver(I) Nitrene Transfer Catalyst ACS Catalysis, 2020, 4820 |
| 4517554 | CIF | C40 H47 Ag Cl2 N5 O8 S2 | P c a 21 | 20.4684; 13.4202; 15.4089 90; 90; 90 | 4232.67 | Elkoush, Tasneem; Mak, Choi L.; Paley, Daniel W.; Campbell, Michael G. Silver(II) and Silver(III) Intermediates in Alkene Aziridination with a Dinuclear Silver(I) Nitrene Transfer Catalyst ACS Catalysis, 2020, 4820 |
| 4517568 | CIF | C17 H14 Cl I N2 O2 | A e a 2 | 31.3169; 13.0613; 7.9634 90; 90; 90 | 3257.34 | Sun, Han-Li; Yang, Fan; Ye, Wei-Ting; Wang, Jun-Jie; Zhu, Rong Dual Cobalt and Photoredox Catalysis Enabled Intermolecular Oxidative Hydrofunctionalization ACS Catalysis, 2020, 10, 4983-4989 |
| 4517571 | CIF | C22 H26 Cl Ir N2 O | P 1 21/n 1 | 8.0634; 19.6046; 12.6297 90; 93.722; 90 | 1992.29 | Mahato, Sanjit K.; Chatani, Naoto The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle ACS Catalysis, 2020, 10, 5173-5178 |
| 4517572 | CIF | C23 H32 N2 O2 Si | P 1 21/c 1 | 20.4075; 8.0569; 14.2212 90; 103.892; 90 | 2269.87 | Mahato, Sanjit K.; Chatani, Naoto The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle ACS Catalysis, 2020, 10, 5173-5178 |
| 4517573 | CIF | C27 H36 N2 O3 S Si | P -1 | 8.2563; 8.5661; 19.6108 78.098; 89.653; 71.445 | 1283.94 | Mahato, Sanjit K.; Chatani, Naoto The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle ACS Catalysis, 2020, 10, 5173-5178 |
| 4517574 | CIF | C65 H59 B Cl F24 Ir N2 O Si | I 1 2/a 1 | 43.3006; 12.9147; 24.7725 90; 103.997; 90 | 13441.8 | Mahato, Sanjit K.; Chatani, Naoto The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle ACS Catalysis, 2020, 10, 5173-5178 |
| 4517575 | CIF | C23 H28 Cl Ir N2 O | P 1 21/c 1 | 20.6873; 7.8511; 26.1279 90; 98.161; 90 | 4200.7 | Mahato, Sanjit K.; Chatani, Naoto The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle ACS Catalysis, 2020, 10, 5173-5178 |
| 4517576 | CIF | C18 H14 N2 O5 | P -1 | 7.4602; 7.7802; 14.1269 92.011; 102.586; 97.486 | 791.72 | Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines ACS Catalysis, 2020, 10, 5023-5029 |
| 4517577 | CIF | C12 H9 Br Cl3 N O2 | P 1 21/n 1 | 11.9493; 6.9494; 17.493 90; 104.384; 90 | 1407.1 | Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines ACS Catalysis, 2020, 10, 5023-5029 |
| 4517578 | CIF | C17 H14 N2 O3 | P 1 21/c 1 | 7.5628; 16.969; 11.191 90; 105.563; 90 | 1383.5 | Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines ACS Catalysis, 2020, 10, 5023-5029 |
| 4517579 | CIF | C16 H11 Cl N2 O3 | P 1 21/c 1 | 7.4538; 16.3766; 12.0863 90; 106.556; 90 | 1414.18 | Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines ACS Catalysis, 2020, 10, 5023-5029 |
| 4517580 | CIF | C23 H19 Br N2 | P -1 | 8.6223; 10.073; 11.48 85; 71.73; 76.75 | 921.5 | Tan, Zhenda; Ci, Chenggang; Yang, Jian; Wu, Yang; Cao, Liang; Jiang, Huanfeng; Zhang, Min Catalytic Conversion of N-Heteroaromatics to Functionalized Arylamines by Merging Hydrogen Transfer and Selective Coupling ACS Catalysis, 2020, 5243 |
| 4517581 | CIF | C23 H20 N2 | P -1 | 7.4417; 9.5742; 13.391 74.82; 87.16; 74.55 | 887.3 | Tan, Zhenda; Ci, Chenggang; Yang, Jian; Wu, Yang; Cao, Liang; Jiang, Huanfeng; Zhang, Min Catalytic Conversion of N-Heteroaromatics to Functionalized Arylamines by Merging Hydrogen Transfer and Selective Coupling ACS Catalysis, 2020, 5243 |
| 4517582 | CIF | C31 H46 Au B F4 N2 | P 1 21/c 1 | 11.029; 13.8947; 23.635 90; 102.05; 90 | 3542.1 | Yazdani, Sima; Junor, Glen P.; Peltier, Jesse L.; Gembicky, Milan; Jazzar, Rodolphe; Grotjahn, Douglas B.; Bertrand, Guy Influence of Carbene and Phosphine Ligands on the Catalytic Activity of Gold Complexes in the Hydroamination and Hydrohydrazination of Alkynes ACS Catalysis, 2020, 5190 |
| 4517583 | CIF | C16 H18 N2 O2 S | P 1 21/n 1 | 5.2585; 15.779; 18.526 90; 95.843; 90 | 1529.2 | Yazdani, Sima; Junor, Glen P.; Peltier, Jesse L.; Gembicky, Milan; Jazzar, Rodolphe; Grotjahn, Douglas B.; Bertrand, Guy Influence of Carbene and Phosphine Ligands on the Catalytic Activity of Gold Complexes in the Hydroamination and Hydrohydrazination of Alkynes ACS Catalysis, 2020, 5190 |
| 4517584 | CIF | C62 H47 Au B F20 N | P -1 | 15.2805; 18.4692; 20.3195 78.445; 80.937; 82.219 | 5516.1 | Yazdani, Sima; Junor, Glen P.; Peltier, Jesse L.; Gembicky, Milan; Jazzar, Rodolphe; Grotjahn, Douglas B.; Bertrand, Guy Influence of Carbene and Phosphine Ligands on the Catalytic Activity of Gold Complexes in the Hydroamination and Hydrohydrazination of Alkynes ACS Catalysis, 2020, 5190 |
| 4517585 | CIF | C56 H78 Au B F4 N2 | C 1 c 1 | 17.9392; 18.2892; 17.3878 90; 118.402; 90 | 5018.1 | Yazdani, Sima; Junor, Glen P.; Peltier, Jesse L.; Gembicky, Milan; Jazzar, Rodolphe; Grotjahn, Douglas B.; Bertrand, Guy Influence of Carbene and Phosphine Ligands on the Catalytic Activity of Gold Complexes in the Hydroamination and Hydrohydrazination of Alkynes ACS Catalysis, 2020, 5190 |
| 4517598 | CIF | C23 H28 N2 O2 S | P 1 | 7.7639; 9.7745; 16.044 90.123; 96.248; 112.826 | 1114.2 | Rigotti, Thomas; Mas-Ballesté, Rubén; Alemán, José Enantioselective Aminocatalytic [2 + 2] Cycloaddition through Visible Light Excitation ACS Catalysis, 2020, 10, 5335-5346 |
| 4517604 | CIF | C26 H39 Au Cl P | P 1 21/n 1 | 10.0412; 15.8623; 15.2487 90; 91.963; 90 | 2427.33 | Barber, Thomas; Argent, Stephen P.; Ball, Liam T. Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates ACS Catalysis, 2020, 5454-5461 |
| 4517605 | CIF | C13 H28 F3 O3 P S | P 1 21/n 1 | 8.8317; 22.6453; 9.2451 90; 106.967; 90 | 1768.51 | Barber, Thomas; Argent, Stephen P.; Ball, Liam T. Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates ACS Catalysis, 2020, 5454-5461 |
| 4517606 | CIF | C31 H52 F3 O3 P S | P 21 21 21 | 7.362; 16.8285; 25.1572 90; 90; 90 | 3116.76 | Barber, Thomas; Argent, Stephen P.; Ball, Liam T. Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates ACS Catalysis, 2020, 5454-5461 |
| 4517607 | CIF | C15 H28 F3 O3 P S | P 1 21/n 1 | 9.5; 10.6274; 18.6029 90; 100.595; 90 | 1846.13 | Barber, Thomas; Argent, Stephen P.; Ball, Liam T. Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates ACS Catalysis, 2020, 5454-5461 |
| 4517608 | CIF | C32 H39 Au Cl P | P 1 21/c 1 | 11.9313; 15.6446; 15.2881 90; 109.268; 90 | 2693.84 | Barber, Thomas; Argent, Stephen P.; Ball, Liam T. Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates ACS Catalysis, 2020, 5454-5461 |
| 4517609 | CIF | C34 H39 P | P -1 | 10.1139; 12.6246; 13.5249 111.882; 109.918; 96.579 | 1447.74 | Barber, Thomas; Argent, Stephen P.; Ball, Liam T. Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates ACS Catalysis, 2020, 5454-5461 |
| 4517610 | CIF | C30 H47 Au Cl P | P 1 21/c 1 | 10.66; 11.355; 23.7632 90; 100.803; 90 | 2825.42 | Barber, Thomas; Argent, Stephen P.; Ball, Liam T. Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates ACS Catalysis, 2020, 5454-5461 |
| 4517611 | CIF | C21 H32 F3 O3 P S | P 1 21/c 1 | 11.1508; 18.5177; 21.1099 90; 100.488; 90 | 4286.1 | Barber, Thomas; Argent, Stephen P.; Ball, Liam T. Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates ACS Catalysis, 2020, 5454-5461 |
| 4517612 | CIF | C24 H31.22 Au Cl O0.11 P | P 1 21/n 1 | 8.7107; 9.9662; 25.5485 90; 96.659; 90 | 2202.97 | Barber, Thomas; Argent, Stephen P.; Ball, Liam T. Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates ACS Catalysis, 2020, 5454-5461 |
| 4517613 | CIF | C40.9 H35.8 Cl1.8 F3 O3 P S | P 1 21/c 1 | 11.5515; 18.5889; 17.7571 90; 99.907; 90 | 3756.12 | Barber, Thomas; Argent, Stephen P.; Ball, Liam T. Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates ACS Catalysis, 2020, 5454-5461 |
| 4517614 | CIF | C47 H68 Au2 Cl2 P2 | P -1 | 10.0872; 14.0744; 16.7016 78.85; 81.86; 78.924 | 2269.59 | Barber, Thomas; Argent, Stephen P.; Ball, Liam T. Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates ACS Catalysis, 2020, 5454-5461 |
| 4517615 | CIF | C24 H35 Au Cl P | P 1 21/n 1 | 10.0134; 14.7285; 15.0955 90; 92.029; 90 | 2224.92 | Barber, Thomas; Argent, Stephen P.; Ball, Liam T. Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates ACS Catalysis, 2020, 5454-5461 |
| 4517616 | CIF | C11 H24 F3 O3 P S | P 1 21/n 1 | 17.478; 10.4898; 17.7113 90; 99.9348; 90 | 3198.51 | Barber, Thomas; Argent, Stephen P.; Ball, Liam T. Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates ACS Catalysis, 2020, 5454-5461 |
| 4517617 | CIF | C26 H35 Au Cl P | P 1 21/n 1 | 10.7821; 20.369; 11.1066 90; 106.794; 90 | 2335.2 | Barber, Thomas; Argent, Stephen P.; Ball, Liam T. Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates ACS Catalysis, 2020, 5454-5461 |
| 4517618 | CIF | C33 H46 N3 O2 P Ru | P 1 21/n 1 | 19.023; 8.5687; 21.327 90; 113.37; 90 | 3191.2 | Kar, Sayan; Rauch, Michael; Kumar, Amit; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David Selective Room-Temperature Hydrogenation of Amides to Amines and Alcohols Catalyzed by a Ruthenium Pincer Complex and Mechanistic Insight ACS Catalysis, 2020, 5511-5515 |
| 4517624 | CIF | C19 H17 N O5 S | P 1 21 1 | 7.9914; 19.2773; 12.1358 90; 90.712; 90 | 1869.41 | Zhang, Hongkui; Jiang, Chunhui; Tan, Jian-Ping; Hu, Hui-Lin; Chen, Yayun; Ren, Xiaoyu; Zhang, Hong-Su; Wang, Tianli Highly Enantioselective Construction of Fully Substituted Stereocenters Enabled by In Situ Phosphonium-Containing Organocatalysis ACS Catalysis, 2020, 5698-5706 |
| 4517639 | CIF | C20 H32 | P 21 21 2 | 13.5688; 11.1801; 11.1208 90; 90; 90 | 1687 | Li, Zhong; Jiang, Yuanyuan; Zhang, Xingwang; Chang, Yimin; Li, Shuai; Zhang, Xiaomin; Zheng, Shanmin; Geng, Ce; Men, Ping; Ma, Li; Yang, Ying; Gao, Zhengquan; Tang, Ya-Jie; Li, Shengying Fragrant Venezuelaenes A and B with A 5‒5‒6‒7 Tetracyclic Skeleton: Discovery, Biosynthesis, and Mechanisms of Central Catalysts ACS Catalysis, 2020, 10, 5846-5851 |
| 4517640 | CIF | C19 H18 Br N O | P 1 21 1 | 6.6642; 7.7286; 15.5866 90; 95.532; 90 | 799.05 | Jadhav, Prakash D.; Chen, Jia-Xuan; Liu, Rai-Shung Gold(I)-Catalyzed Highly Enantioselective [4 + 2]-Annulations of Cyclopentadienes with Nitrosoarenes via Nitroso-Povarov versus Oxidative Nitroso-Povarov Reactions ACS Catalysis, 2020, 5840 |
| 4517641 | CIF | C19 H16 Br N O2 | P 1 21 1 | 6.4745; 6.9054; 18.0777 90; 99.293; 90 | 797.63 | Jadhav, Prakash D.; Chen, Jia-Xuan; Liu, Rai-Shung Gold(I)-Catalyzed Highly Enantioselective [4 + 2]-Annulations of Cyclopentadienes with Nitrosoarenes via Nitroso-Povarov versus Oxidative Nitroso-Povarov Reactions ACS Catalysis, 2020, 5840 |
| 4517672 | CIF | C67 H105 Fe2 N5 | P 1 21/c 1 | 13.7862; 21.4855; 21.9569 90; 94.382; 90 | 6484.7 | Gasperini, Danila; King, Andrew K.; Coles, Nathan T.; Mahon, Mary F.; Webster, Ruth L. Seeking Heteroatom-Rich Compounds: Synthetic and Mechanistic Studies into Iron Catalyzed Dehydrocoupling of Silanes ACS Catalysis, 2020, 6102-6112 |
| 4517677 | CIF | C22 H20 O | P 1 21 1 | 11.20707; 5.82419; 12.84587 90; 104.996; 90 | 809.923 | Lee, Maizie; Ren, Zhi; Musaev, Djamaladdin G.; Davies, Huw M. L. Rhodium-Stabilized Diarylcarbenes Behaving as Donor/Acceptor Carbenes ACS Catalysis, 2020, 6240-6247 |
| 4517678 | CIF | C21 H18 | P 21 21 21 | 5.76988; 11.91662; 21.9056 90; 90; 90 | 1506.17 | Lee, Maizie; Ren, Zhi; Musaev, Djamaladdin G.; Davies, Huw M. L. Rhodium-Stabilized Diarylcarbenes Behaving as Donor/Acceptor Carbenes ACS Catalysis, 2020, 6240-6247 |
| 4517689 | CIF | C66 H50 B F24 Ir P2 | P -1 | 14.47472; 19.26; 23.9417 107.115; 90.4073; 98.3956 | 6301.75 | Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D. Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage ACS Catalysis, 2020, 6450-6456 |
| 4517690 | CIF | C58 H51 B F24 Ir O0.5 P2 | P 1 21 1 | 12.17636; 38.6268; 12.77708 90; 100.256; 90 | 5913.47 | Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D. Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage ACS Catalysis, 2020, 6450-6456 |
| 4517691 | CIF | C88 H78 B F24 Ir P2 | P -1 | 12.9847; 16.3076; 19.9591 95.5387; 104.592; 92.1533 | 4062.5 | Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D. Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage ACS Catalysis, 2020, 6450-6456 |
| 4517692 | CIF | C88 H60 B F42 Ir P2 | P 1 21/c 1 | 13.0737; 23.7759; 28.1916 90; 99.78; 90 | 8635.7 | Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D. Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage ACS Catalysis, 2020, 6450-6456 |
| 4517693 | CIF | C89 H44 B Cl2 F60 Ir P2 | P 1 21/c 1 | 18.33896; 13.16861; 38.4041 90; 91.6412; 90 | 9270.73 | Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D. Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage ACS Catalysis, 2020, 6450-6456 |
| 4517694 | CIF | C25 H44 O2 | P 21 21 2 | 42.4084; 13.6051; 7.6568 90; 90; 90 | 4417.75 | Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D. Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage ACS Catalysis, 2020, 6450-6456 |
| 4517695 | CIF | C42 H64 O3 Si | P 1 21 1 | 12.55791; 11.2147; 14.01011 90; 107.532; 90 | 1881.44 | Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D. Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage ACS Catalysis, 2020, 6450-6456 |
| 4517696 | CIF | C25 H44 O3 | P 1 21 1 | 12.21766; 7.39922; 12.74257 90; 95.6028; 90 | 1146.44 | Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D. Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage ACS Catalysis, 2020, 6450-6456 |
| 4517697 | CIF | C24 H42 O2 | I 1 2 1 | 7.6128; 9.7121; 87.346 90; 90.272; 90 | 6458 | Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D. Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage ACS Catalysis, 2020, 6450-6456 |
| 4517698 | CIF | C20 H28 O2 | P 21 21 21 | 7.7735; 12.2996; 16.9155 90; 90; 90 | 1617.31 | Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D. Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage ACS Catalysis, 2020, 6450-6456 |
| 4517699 | CIF | C42 H49 Ir P2 Si | P 1 21/n 1 | 11.88006; 21.74657; 14.12314 90; 97.1277; 90 | 3620.52 | Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D. Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage ACS Catalysis, 2020, 6450-6456 |
| 4517700 | CIF | C48 H23 F36 Ir P2 | P -1 | 12.3828; 15.2107; 16.6665 64.281; 83.752; 70.114 | 2656.74 | Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D. Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage ACS Catalysis, 2020, 6450-6456 |
| 4517701 | CIF | C54 H37 F36 Ir P2 Si | P -1 | 13.9408; 14.1616; 16.2996 102.527; 94.566; 101.595 | 3051.57 | Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D. Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage ACS Catalysis, 2020, 6450-6456 |
| 4517702 | CIF | C24 H18 F9 P | P -1 | 9.2013; 11.6473; 12.4438 62.798; 76.382; 76.134 | 1139.24 | Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D. Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage ACS Catalysis, 2020, 6450-6456 |
| 4517706 | CIF | C31 H61 In N2 O Si2 | P 1 21/c 1 | 14.5173; 22.1551; 11.8658 90; 106.121; 90 | 3666.4 | Jung, Hyuk-Joon; Yu, Insun; Nyamayaro, Kudzanai; Mehrkhodavandi, Parisa Indium-Catalyzed Block Copolymerization of Lactide and Methyl Methacrylate by Sequential Addition ACS Catalysis, 2020, 6488-6496 |
| 4517707 | CIF | C31 H59 In N2 O Si2 | P 1 21/n 1 | 16.279; 23.517; 37.715 90; 97.103; 90 | 14328 | Jung, Hyuk-Joon; Yu, Insun; Nyamayaro, Kudzanai; Mehrkhodavandi, Parisa Indium-Catalyzed Block Copolymerization of Lactide and Methyl Methacrylate by Sequential Addition ACS Catalysis, 2020, 6488-6496 |
| 4517708 | CIF | C111 H120 B2 F40 In2 N4 O3 Si2 | P -1 | 13.921; 16.027; 26.415 91.032; 101.549; 91.773 | 5769.7 | Jung, Hyuk-Joon; Yu, Insun; Nyamayaro, Kudzanai; Mehrkhodavandi, Parisa Indium-Catalyzed Block Copolymerization of Lactide and Methyl Methacrylate by Sequential Addition ACS Catalysis, 2020, 6488-6496 |
| 4517709 | CIF | C31 H60 F6 In N2 O2 P Si | P 43 21 2 | 14.75; 14.75; 35.67 90; 90; 90 | 7760 | Jung, Hyuk-Joon; Yu, Insun; Nyamayaro, Kudzanai; Mehrkhodavandi, Parisa Indium-Catalyzed Block Copolymerization of Lactide and Methyl Methacrylate by Sequential Addition ACS Catalysis, 2020, 6488-6496 |
| 4517710 | CIF | C62 H64 B F20 In N2 O2 Si | P 1 21/c 1 | 14.6691; 25.0259; 17.6496 90; 106.494; 90 | 6212.7 | Jung, Hyuk-Joon; Yu, Insun; Nyamayaro, Kudzanai; Mehrkhodavandi, Parisa Indium-Catalyzed Block Copolymerization of Lactide and Methyl Methacrylate by Sequential Addition ACS Catalysis, 2020, 6488-6496 |
| 4517711 | CIF | C23 H42 Cl Ir N P2 S | P b c a | 12.2672; 15.04; 28.7115 90; 90; 90 | 5297.23 | Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects ACS Catalysis, 2020, 6475-6487 |
| 4517712 | CIF | C21 H36 Ir N O2 P2 | C 1 2/c 1 | 36.27; 7.8548; 36.2929 90; 113.602; 90 | 9474.7 | Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects ACS Catalysis, 2020, 6475-6487 |
| 4517713 | CIF | C21 H35 Ir O P2 | P -1 | 11.336; 14.13; 14.921 78.309; 82.053; 89.309 | 2317.6 | Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects ACS Catalysis, 2020, 6475-6487 |
| 4517714 | CIF | C20 H34 Ir N O2 P2 | P 1 21/c 1 | 13.2206; 11.3239; 15.3513 90; 97.378; 90 | 2279.2 | Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects ACS Catalysis, 2020, 6475-6487 |
| 4517715 | CIF | C23 H43 Cl Ir N O P2 | C 1 2/c 1 | 31.9259; 7.9828; 20.1715 90; 100.614; 90 | 5052.91 | Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects ACS Catalysis, 2020, 6475-6487 |
| 4517716 | CIF | C26 H45 Ir O2 P2 | P 1 21/c 1 | 8.6225; 18.5843; 17.0349 90; 90.761; 90 | 2729.48 | Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects ACS Catalysis, 2020, 6475-6487 |
| 4517717 | CIF | C20 H34 Ir N O P2 S | P -1 | 8.1801; 17.6065; 17.9383 62.959; 83.152; 82.77 | 2277.2 | Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects ACS Catalysis, 2020, 6475-6487 |
| 4517718 | CIF | C20 H37 Ir O2 P2 S0.99 | P 1 21/c 1 | 19.059; 8.033; 16.181 90; 92.063; 90 | 2476 | Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects ACS Catalysis, 2020, 6475-6487 |
| 4517719 | CIF | C22 H36 Ir N O2 P2 | P 1 21/c 1 | 13.6088; 11.1953; 15.5695 90; 100.675; 90 | 2331.03 | Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects ACS Catalysis, 2020, 6475-6487 |
| 4517720 | CIF | C19 H31 Ir O2 P2 S | C 1 2/c 1 | 29.6785; 8.0786; 18.7571 90; 101.242; 90 | 4410.93 | Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects ACS Catalysis, 2020, 6475-6487 |
| 4517721 | CIF | C19 H31 Ir O3 P2 | P -1 | 14.2131; 14.3576; 17.1807 108.37; 97.894; 91.083 | 3288.59 | Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects ACS Catalysis, 2020, 6475-6487 |
| 4517731 | CIF | C32 H37 N O3 | P 1 21 1 | 11.8096; 6.187; 19.7061 90; 105.867; 90 | 1384.99 | Wang, Yaxin; Wang, Nengyong; Zhao, Jianyou; Sun, Minzhi; You, Huichao; Fang, Fang; Liu, Zhong-Quan Visible-Light-Promoted Site-Specific and Diverse Functionalization of a C(sp3)‒C(sp3) Bond Adjacent to an Arene ACS Catalysis, 2020, 6603-6612 |
| 4517732 | CIF | C21 H14 Au Cl O | P -1 | 7.9594; 9.7061; 11.5124 72.844; 89.113; 80.497 | 837.63 | Zhang, Caiyun; Wang, Gendi; Zhan, Licheng; Yang, Xueyan; Wang, Jiwei; Wei, Yin; Xu, Sheng; Shi, Min; Zhang, Jun Gold(I) or Gold(III) as Real Intermediate Species in Gold-Catalyzed Cycloaddition Reactions of Enynal/Enynone? ACS Catalysis, 2020, 6682-6690 |
| 4517733 | CIF | C24 H18 Cl2 O | P -1 | 11.6275; 12.6651; 15.1706 113.103; 103.226; 99.082 | 1922.4 | Zhang, Caiyun; Wang, Gendi; Zhan, Licheng; Yang, Xueyan; Wang, Jiwei; Wei, Yin; Xu, Sheng; Shi, Min; Zhang, Jun Gold(I) or Gold(III) as Real Intermediate Species in Gold-Catalyzed Cycloaddition Reactions of Enynal/Enynone? ACS Catalysis, 2020, 6682-6690 |
| 4517734 | CIF | C22.5 H17 Au Cl6 O | C 1 2/c 1 | 20.839; 14.241; 16.555 90; 98.828; 90 | 4854.8 | Zhang, Caiyun; Wang, Gendi; Zhan, Licheng; Yang, Xueyan; Wang, Jiwei; Wei, Yin; Xu, Sheng; Shi, Min; Zhang, Jun Gold(I) or Gold(III) as Real Intermediate Species in Gold-Catalyzed Cycloaddition Reactions of Enynal/Enynone? ACS Catalysis, 2020, 6682-6690 |
| 4517770 | CIF | C12 H18 B2 F6 K2 O4 | P 1 21 1 | 9.9422; 6.0314; 15.453 90; 103.236; 90 | 902.03 | Wittmann, Bruce J.; Knight, Anders M.; Hofstra, Julie L.; Reisman, Sarah E.; Jennifer Kan, S. B.; Arnold, Frances H. Diversity-Oriented Enzymatic Synthesis of Cyclopropane Building Blocks ACS Catalysis, 2020, 10, 7112-7116 |
| 4517771 | CIF | C49 H59 Cl N4 O2 Ti | P 1 21/n 1 | 19.1679; 10.1706; 23.0399 90; 98.625; 90 | 4440.8 | Hao, Han; Schafer, Laurel L. Metal‒Ligand Cooperativity in Titanium-Catalyzed Anti-Markovnikov Hydroamination ACS Catalysis, 2020, 7100 |
| 4517772 | CIF | C26 H42 Cl4 Ir2 | P -1 | 8.389; 9.214; 9.659 102.796; 99.295; 100.694 | 699.2 | Liu, Lei; Song, Hong; Liu, Yan-Hua; Wu, Le-Song; Shi, Bing-Feng Achiral CpxIr(III)/Chiral Carboxylic Acid Catalyzed Enantioselective C‒H Amidation of Ferrocenes under Mild Conditions ACS Catalysis, 2020, 10, 7117-7122 |
| 4517773 | CIF | C20 H18 Br2 Fe N2 O2 | P 43 21 2 | 10.5631; 10.5631; 34.9612 90; 90; 90 | 3900.9 | Liu, Lei; Song, Hong; Liu, Yan-Hua; Wu, Le-Song; Shi, Bing-Feng Achiral CpxIr(III)/Chiral Carboxylic Acid Catalyzed Enantioselective C‒H Amidation of Ferrocenes under Mild Conditions ACS Catalysis, 2020, 10, 7117-7122 |
| 4517774 | CIF | C21 H17 Br2 N O2 S | P 1 | 5.2215; 7.9597; 23.385 87.72; 86.471; 89.947 | 969.3 | Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides ACS Catalysis, 2020, 10, 7207-7215 |
| 4517775 | CIF | C26 H42 Cl4 Ir2 | P 1 21/c 1 | 12.4627; 18.1472; 12.9349 90; 93.987; 90 | 2918.3 | Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides ACS Catalysis, 2020, 10, 7207-7215 |
| 4517776 | CIF | C23 H17 F6 N O4 S | P 21 21 21 | 5.5584; 14.559; 27.412 90; 90; 90 | 2218.3 | Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides ACS Catalysis, 2020, 10, 7207-7215 |
| 4517777 | CIF | C24 H27 Ir O S | P 1 21/n 1 | 10.993; 14.5354; 12.7588 90; 94.905; 90 | 2031.23 | Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides ACS Catalysis, 2020, 10, 7207-7215 |
| 4517778 | CIF | C26 H42 Cl4 Ir2 | P -1 | 8.3494; 9.1549; 9.6175 102.865; 98.989; 100.722 | 689.02 | Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides ACS Catalysis, 2020, 10, 7207-7215 |
| 4517779 | CIF | C29 H29 N2 O3 | P -1 | 10.548; 11.96; 13.948 94.54; 111.21; 115.903 | 1415.3 | Guo, Tao; Ding, Yalan; Zhou, Lili; Xu, Haiyan; Loh, Teck-Peng; Wu, Xiaojin Palladium-Catalyzed anti-Michael Reductive Heck Reaction of α,β-Unsaturated Esters ACS Catalysis, 2020, 10, 7262-7268 |
| 4517796 | CIF | C51 H51 F9 N5 O9 P3 Ru S3 | P 21 21 21 | 12.6221; 20.3106; 22.3941 90; 90; 90 | 5741 | Erickson, Jeremy D.; Preston, Andrew Z.; Linehan, John C.; Wiedner, Eric S. Enhanced Hydrogenation of Carbon Dioxide to Methanol by a Ruthenium Complex with a Charged Outer-Coordination Sphere ACS Catalysis, 2020, 10, 7419-7423 |
| 4517808 | CIF | C43 H35 O P2 Rh | P -1 | 11.1012; 11.5775; 13.3634 89.848; 77.424; 78.168 | 1639.11 | Ryan, David E.; Andrea, Kori A.; Race, James J.; Boyd, Timothy M.; Lloyd-Jones, Guy C.; Weller, Andrew S. Amine‒Borane Dehydropolymerization Using Rh-Based Precatalysts: Resting State, Chain Control, and Efficient Polymer Synthesis ACS Catalysis, 2020, 7443-7448 |
| 4517809 | CIF | C51.1 H44.1 O P2 Rh | P 1 21/c 1 | 16.1346; 10.4118; 24.8442 90; 98.216; 90 | 4130.7 | Ryan, David E.; Andrea, Kori A.; Race, James J.; Boyd, Timothy M.; Lloyd-Jones, Guy C.; Weller, Andrew S. Amine‒Borane Dehydropolymerization Using Rh-Based Precatalysts: Resting State, Chain Control, and Efficient Polymer Synthesis ACS Catalysis, 2020, 7443-7448 |
| 4517813 | CIF | C17 H34 F3 N O3 S Sn | P 1 21/n 1 | 9.7228; 15.7107; 14.334 90; 92.744; 90 | 2187.04 | Sapsford, Joshua S.; Csókás, Dániel; Scott, Daniel J.; Turnell-Ritson, Roland C.; Piascik, Adam D.; Pápai, Imre; Ashley, Andrew E. Establishing the Role of Triflate Anions in H2 Activation by a Cationic Triorganotin(IV) Lewis Acid ACS Catalysis, 2020, 7573-7583 |
| 4517814 | CIF | C32 H34 Al F36 N O4 Sn | P 1 21/c 1 | 14.8706; 15.2083; 21.9762 90; 104.671; 90 | 4808 | Sapsford, Joshua S.; Csókás, Dániel; Scott, Daniel J.; Turnell-Ritson, Roland C.; Piascik, Adam D.; Pápai, Imre; Ashley, Andrew E. Establishing the Role of Triflate Anions in H2 Activation by a Cationic Triorganotin(IV) Lewis Acid ACS Catalysis, 2020, 7573-7583 |
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