Crystallography Open Database

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Searching journal of publication like 'ACS Catalysis' volume of publication is 9

COD ID: 4514406
CIF file Formula: - C52 H49 Cl2 I O2 P2 Pd -
Comments: Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor Catalytic Asymmetric C‒H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines ACS Catalysis 9(6) (2019) 5268
Space group: P 1 21 1
Cell volume: 2312.95
Cell parameters: 11.6182; 17.9333; 12.329; 90; 115.788; 90;  

COD ID: 4514407
CIF file Formula: - C37 H36 Cr N O5 P -
Comments: Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor Catalytic Asymmetric C‒H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines ACS Catalysis 9(6) (2019) 5268
Space group: P 21 21 21
Cell volume: 3363.6
Cell parameters: 7.15; 19.5691; 24.0399; 90; 90; 90;  

COD ID: 4514408
CIF file Formula: - C62 H74.56 Ag O4.78 P2 -
Comments: Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor Catalytic Asymmetric C‒H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines ACS Catalysis 9(6) (2019) 5268
Space group: I 1 2 1
Cell volume: 5456
Cell parameters: 11.7485; 26.0007; 18.5841; 90; 106.036; 90;  

COD ID: 4514409
CIF file Formula: - C31 H31 N O3 S -
Comments: Li, Man-Bo; Grape, Erik Svensson; Bäckvall, Jan-E. Palladium-Catalyzed Stereospecific Oxidative Cascade Reaction of Allenes for the Construction of Pyrrole Rings: Control of Reactivity and Selectivity ACS Catalysis 9(6) (2019) 5184
Space group: P 1 21/c 1
Cell volume: 2651
Cell parameters: 6.4182; 21.7785; 19.0994; 90; 96.787; 90;  

COD ID: 4514412
CIF file Formula: - C20 H26 Cl Rh -
Comments: Burman, Jacob S.; Harris, Robert J.; B. Farr, Caitlin M.; Bacsa, John; Blakey, Simon B. Rh(III) and Ir(III)Cp* Complexes Provide Complementary Regioselectivity Profiles in Intermolecular Allylic C‒H Amidation Reactions ACS Catalysis 9(6) (2019) 5474
Space group: P 1 21/c 1
Cell volume: 1781.8
Cell parameters: 7.4511; 12.8249; 18.6937; 90; 94.11; 90;  

COD ID: 4514413
CIF file Formula: - C20 H26 Cl Ir -
Comments: Burman, Jacob S.; Harris, Robert J.; B. Farr, Caitlin M.; Bacsa, John; Blakey, Simon B. Rh(III) and Ir(III)Cp* Complexes Provide Complementary Regioselectivity Profiles in Intermolecular Allylic C‒H Amidation Reactions ACS Catalysis 9(6) (2019) 5474
Space group: P 1 21/c 1
Cell volume: 1783.84
Cell parameters: 7.46343; 12.81878; 18.68909; 90; 93.9187; 90;  

COD ID: 4514414
CIF file Formula: - C15 H27 Br2 Co N3 -
Comments: Pattanaik, Sandip; Gunanathan, Chidambaram Cobalt-Catalyzed Selective Synthesis of Disiloxanes and Hydrodisiloxanes ACS Catalysis 9(6) (2019) 5552
Space group: P 1 21/c 1
Cell volume: 1901.94
Cell parameters: 10.8842; 11.4192; 15.8101; 90; 104.557; 90;  

COD ID: 4514415
CIF file Formula: - C17 H15 N3 O2 -
Comments: Zhao, Kang; Du, Rongrong; Wang, Bingyang; Liu, Jianhua; Xia, Chungu; Yang, Lei RhCl3·3H2O-Catalyzed Regioselective C(sp2)‒H Alkoxycarbonylation: Efficient Synthesis of Indole- and Pyrrole-2-carboxylic Acid Esters ACS Catalysis 9(6) (2019) 5545
Space group: P 1 21/c 1
Cell volume: 1483.5
Cell parameters: 11.1449; 12.2086; 11.4303; 90; 107.468; 90;  

COD ID: 4514416
CIF file Formula: - C22 H25 N3 O4 -
Comments: Zhao, Kang; Du, Rongrong; Wang, Bingyang; Liu, Jianhua; Xia, Chungu; Yang, Lei RhCl3·3H2O-Catalyzed Regioselective C(sp2)‒H Alkoxycarbonylation: Efficient Synthesis of Indole- and Pyrrole-2-carboxylic Acid Esters ACS Catalysis 9(6) (2019) 5545
Space group: P -1
Cell volume: 1070.9
Cell parameters: 8.7858; 9.9521; 13.706; 100.933; 94.003; 112.813;  

COD ID: 4514417
CIF file Formula: - C18 H15 N3 O2 -
Comments: Zhao, Kang; Du, Rongrong; Wang, Bingyang; Liu, Jianhua; Xia, Chungu; Yang, Lei RhCl3·3H2O-Catalyzed Regioselective C(sp2)‒H Alkoxycarbonylation: Efficient Synthesis of Indole- and Pyrrole-2-carboxylic Acid Esters ACS Catalysis 9(6) (2019) 5545
Space group: P b c a
Cell volume: 3085.7
Cell parameters: 15.251; 10.6393; 19.017; 90; 90; 90;  

COD ID: 4514418
CIF file Formula: - C15 H11 N3 O2 -
Comments: Zhao, Kang; Du, Rongrong; Wang, Bingyang; Liu, Jianhua; Xia, Chungu; Yang, Lei RhCl3·3H2O-Catalyzed Regioselective C(sp2)‒H Alkoxycarbonylation: Efficient Synthesis of Indole- and Pyrrole-2-carboxylic Acid Esters ACS Catalysis 9(6) (2019) 5545
Space group: C 1 2/c 1
Cell volume: 2473.3
Cell parameters: 19.26; 6.4425; 20.274; 90; 100.533; 90;  

COD ID: 4514419
CIF file Formula: - C12 H10 I N O -
Comments: Chen, Fumin; He, Dongxu; Chen, Li; Chang, Xiaoyong; Wang, David Zhigang; Xu, Chen; Xing, Xiangyou Chirality-Economy Catalysis: Asymmetric Transfer Hydrogenation of Ketones by Ru-Catalysts of Minimal Stereogenicity ACS Catalysis 9(6) (2019) 5562
Space group: P 1 21/c 1
Cell volume: 1096.33
Cell parameters: 16.093; 9.8036; 6.9586; 90; 93.02; 90;  

COD ID: 4514420
CIF file Formula: - C59 H60 Cl2 N2 P2 Ru -
Comments: Chen, Fumin; He, Dongxu; Chen, Li; Chang, Xiaoyong; Wang, David Zhigang; Xu, Chen; Xing, Xiangyou Chirality-Economy Catalysis: Asymmetric Transfer Hydrogenation of Ketones by Ru-Catalysts of Minimal Stereogenicity ACS Catalysis 9(6) (2019) 5562
Space group: P 21 21 21
Cell volume: 5032.4
Cell parameters: 10.9656; 11.9509; 38.4007; 90; 90; 90;  

COD ID: 4514611
CIF file Formula: - C29 H33 B O4 Si -
Comments: Zhao, Zhi-Yuan; Nie, Yi-Xue; Tang, Ren-He; Yin, Guan-Wu; Cao, Jian; Xu, Zheng; Cui, Yu-Ming; Zheng, Zhan-Jiang; Xu, Li-Wen Enantioselective Rhodium-Catalyzed Desymmetric Hydrosilylation of Cyclopropenes ACS Catalysis 9(10) (2019) 9110
Space group: P 1
Cell volume: 684.7
Cell parameters: 6.264; 9.621; 11.639; 91.385; 96.47; 100.453;  

COD ID: 4514612
CIF file Formula: - C72 H63 Ir N2 O6 P2 -
Comments: Kim, Seung Wook; Meyer, Cole C.; Mai, Binh Khanh; Liu, Peng; Krische, Michael J. Inversion of Enantioselectivity in Allene Gas versus Allyl Acetate Reductive Aldehyde Allylation Guided by Metal-Centered Stereogenicity: An Experimental and Computational Study ACS Catalysis 9(10) (2019) 9158
Space group: P 21 21 21
Cell volume: 5916.2
Cell parameters: 15.155; 17.531; 22.268; 90; 90; 90;  

COD ID: 4514613
CIF file Formula: - C23 H29 B O3 -
Comments: Whyte, Andrew; Mirabi, Bijan; Torelli, Alexa; Prieto, Liher; Bajohr, Jonathan; Lautens, Mark Asymmetric Synthesis of Boryl-Functionalized Cyclobutanols ACS Catalysis 9(10) (2019) 9253
Space group: P 21 21 21
Cell volume: 2049.85
Cell parameters: 11.8365; 12.8133; 13.5157; 90; 90; 90;  

COD ID: 4514614
CIF file Formula: - C14 H14 Br F2 N O -
Comments: Chen, Yuanjin; Li, Liangkui; He, Xiao; Li, Zhiping Four-Component Reactions for the Synthesis of Perfluoroalkyl Isoxazoles ACS Catalysis 9(10) (2019) 9098
Space group: P -1
Cell volume: 1390.3
Cell parameters: 9.6165; 11.7307; 12.572; 93.33; 100.541; 92.151;  

COD ID: 4514615
CIF file Formula: - C20 H17 N3 O Pd -
Comments: Agasti, Soumitra; Mondal, Bhaskar; Achar, Tapas Kumar; Sinha, Soumya Kumar; Sarala Suseelan, Anjana; Szabo, Kalman J.; Schoenebeck, Franziska; Maiti, Debabrata Orthogonal Selectivity in C‒H Olefination: Synthesis of Branched Vinylarene with Unactivated Aliphatic Substitution ACS Catalysis 9(10) (2019) 9606
Space group: P 65
Cell volume: 2848.31
Cell parameters: 22.1057; 22.1057; 6.7305; 90; 90; 120;  

COD ID: 4514616
CIF file Formula: - C23 N3 O Pd -
Comments: Agasti, Soumitra; Mondal, Bhaskar; Achar, Tapas Kumar; Sinha, Soumya Kumar; Sarala Suseelan, Anjana; Szabo, Kalman J.; Schoenebeck, Franziska; Maiti, Debabrata Orthogonal Selectivity in C‒H Olefination: Synthesis of Branched Vinylarene with Unactivated Aliphatic Substitution ACS Catalysis 9(10) (2019) 9606
Space group: P -1
Cell volume: 1056.88
Cell parameters: 9.6348; 10.7198; 11.5837; 105.639; 103.125; 104.695;  

COD ID: 4514617
CIF file Formula: - C24 H25 N2 O2 -
Comments: Agasti, Soumitra; Mondal, Bhaskar; Achar, Tapas Kumar; Sinha, Soumya Kumar; Sarala Suseelan, Anjana; Szabo, Kalman J.; Schoenebeck, Franziska; Maiti, Debabrata Orthogonal Selectivity in C‒H Olefination: Synthesis of Branched Vinylarene with Unactivated Aliphatic Substitution ACS Catalysis 9(10) (2019) 9606
Space group: P -1
Cell volume: 1032.17
Cell parameters: 8.8691; 10.1304; 12.2386; 105.617; 100.765; 93.916;  

COD ID: 4514618
CIF file Formula: - C20 H26 I N O2 S -
Comments: Nugent, Jeremy; Arroniz, Carlos; Shire, Bethany R.; Sterling, Alistair J.; Pickford, Helena D.; Wong, Marie L. J.; Mansfield, Steven J.; Caputo, Dimitri F. J.; Owen, Benjamin; Mousseau, James J.; Duarte, Fernanda; Anderson, Edward A. A General Route to Bicyclo[1.1.1]pentanes through Photoredox Catalysis ACS Catalysis 9(10) (2019) 9568
Space group: P 1 21/c 1
Cell volume: 1990.3
Cell parameters: 12.2416; 20.4922; 7.9382; 90; 91.862; 90;  

COD ID: 4514619
CIF file Formula: - C24 H35 I O -
Comments: Nugent, Jeremy; Arroniz, Carlos; Shire, Bethany R.; Sterling, Alistair J.; Pickford, Helena D.; Wong, Marie L. J.; Mansfield, Steven J.; Caputo, Dimitri F. J.; Owen, Benjamin; Mousseau, James J.; Duarte, Fernanda; Anderson, Edward A. A General Route to Bicyclo[1.1.1]pentanes through Photoredox Catalysis ACS Catalysis 9(10) (2019) 9568
Space group: P 21 21 21
Cell volume: 2144.65
Cell parameters: 6.30332; 11.85008; 28.71209; 90; 90; 90;  

COD ID: 4514620
CIF file Formula: - C21 H25 B O2 -
Comments: Léonard, Nadia G.; Palmer, W. Neil; Friedfeld, Max R.; Bezdek, Máté J.; Chirik, Paul J. Remote, Diastereoselective Cobalt-Catalyzed Alkene Isomerization‒Hydroboration: Access to Stereodefined 1,3-Difunctionalized Indanes ACS Catalysis 9(10) (2019) 9034
Space group: P -1
Cell volume: 1819.14
Cell parameters: 10.2291; 13.3412; 13.527; 87.464; 88.582; 80.599;  

COD ID: 4514621
CIF file Formula: - C18 H16 N2 O3 -
Comments: Yang, Hui; Wei, Guo; Jiang, Zhiyong Access to Isoxazolidines through Visible-Light-Induced Difunctionalization of Alkenes ACS Catalysis 9(10) (2019) 9599
Space group: P 1 c 1
Cell volume: 772.17
Cell parameters: 11.4615; 5.5002; 12.6887; 90; 105.131; 90;  

COD ID: 4514622
CIF file Formula: - C44 H57 F6 N5 O6 -
Comments: Zhang, Yunfei; Jermaks, Janis; MacMillan, Samantha N.; Lambert, Tristan H. Synthesis of 2H-Chromenes via Hydrazine-Catalyzed Ring-Closing Carbonyl-Olefin Metathesis ACS Catalysis 9(10) (2019) 9259
Space group: I 1 2/a 1
Cell volume: 4154.9
Cell parameters: 17.95158; 10.14969; 23.05206; 90; 98.418; 90;  

COD ID: 4514623
CIF file Formula: - C28 H46 Cl2 F3 Ir O5 P2 S -
Comments: Chu, Wan-Yi; Culakova, Zuzana; Wang, Bernie T.; Goldberg, Karen I. Acid-Assisted Hydrogenation of CO2 to Methanol in a Homogeneous Catalytic Cascade System ACS Catalysis 9(10) (2019) 9317
Space group: P n m a
Cell volume: 7004
Cell parameters: 15.492; 24.393; 18.535; 90; 90; 90;  

COD ID: 4514624
CIF file Formula: - C44 H43 F3 O4 P4 Ru S -
Comments: Chu, Wan-Yi; Culakova, Zuzana; Wang, Bernie T.; Goldberg, Karen I. Acid-Assisted Hydrogenation of CO2 to Methanol in a Homogeneous Catalytic Cascade System ACS Catalysis 9(10) (2019) 9317
Space group: P b c a
Cell volume: 8359.8
Cell parameters: 23.1713; 14.6301; 24.6604; 90; 90; 90;  

COD ID: 4514625
CIF file Formula: - C46 H45 F6 N O6 P4 Ru S2 -
Comments: Chu, Wan-Yi; Culakova, Zuzana; Wang, Bernie T.; Goldberg, Karen I. Acid-Assisted Hydrogenation of CO2 to Methanol in a Homogeneous Catalytic Cascade System ACS Catalysis 9(10) (2019) 9317
Space group: P 1 21/c 1
Cell volume: 9474
Cell parameters: 17.445; 19.175; 28.449; 90; 95.41; 90;  

COD ID: 4514626
CIF file Formula: - C27 H46 Cl2 F3 Ir O4 P2 S -
Comments: Chu, Wan-Yi; Culakova, Zuzana; Wang, Bernie T.; Goldberg, Karen I. Acid-Assisted Hydrogenation of CO2 to Methanol in a Homogeneous Catalytic Cascade System ACS Catalysis 9(10) (2019) 9317
Space group: P 1 21/n 1
Cell volume: 3274.16
Cell parameters: 16.5246; 12.6284; 17.54; 90; 116.553; 90;  

COD ID: 4514627
CIF file Formula: - C15 H12 O2 S -
Comments: Liu, Can; Fang, Yi; Wang, Shun-Yi; Ji, Shun-Jun RhCl3·3H2O-Catalyzed Ligand-Enabled Highly Regioselective Thiolation of Acrylic Acids ACS Catalysis 9(10) (2019) 8910
Space group: C 1 2/c 1
Cell volume: 2592.1
Cell parameters: 20.5001; 9.8972; 14.0168; 90; 114.293; 90;  

COD ID: 4514628
CIF file Formula: - C9 H6 F6 O9 S2 U -
Comments: Monsigny, Louis; Thuéry, Pierre; Berthet, Jean-Claude; Cantat, Thibault Breaking C‒O Bonds with Uranium: Uranyl Complexes as Selective Catalysts in the Hydrosilylation of Aldehydes ACS Catalysis 9(10) (2019) 9025
Space group: P -1
Cell volume: 873.34
Cell parameters: 8.7768; 9.4553; 11.5011; 75.998; 71.713; 79.448;  

COD ID: 4514629
CIF file Formula: - C32 H24 F12 O20 S4 U2 -
Comments: Monsigny, Louis; Thuéry, Pierre; Berthet, Jean-Claude; Cantat, Thibault Breaking C‒O Bonds with Uranium: Uranyl Complexes as Selective Catalysts in the Hydrosilylation of Aldehydes ACS Catalysis 9(10) (2019) 9025
Space group: P -1
Cell volume: 1160.02
Cell parameters: 5.6883; 12.7612; 16.5764; 102.634; 94.632; 96.374;  

COD ID: 4514630
CIF file Formula: - C29 H33 F6 N3 O11 S2 U -
Comments: Monsigny, Louis; Thuéry, Pierre; Berthet, Jean-Claude; Cantat, Thibault Breaking C‒O Bonds with Uranium: Uranyl Complexes as Selective Catalysts in the Hydrosilylation of Aldehydes ACS Catalysis 9(10) (2019) 9025
Space group: P 1 21/c 1
Cell volume: 3664.8
Cell parameters: 9.2981; 22.059; 18.3163; 90; 102.709; 90;  

COD ID: 4514631
CIF file Formula: - C25 H22 F N O -
Comments: Ma, Teng; Chen, Yate; Li, Yuxiu; Ping, Yuanyuan; Kong, Wangqing Nickel-Catalyzed Enantioselective Reductive Aryl Fluoroalkenylation of Alkenes ACS Catalysis 9(10) (2019) 9127
Space group: P 21 21 21
Cell volume: 2008.95
Cell parameters: 6.9609; 9.0105; 32.0299; 90; 90; 90;  

COD ID: 4514632
CIF file Formula: - C24 H43.5 O4.75 -
Comments: Nguyen, Vu T.; Nguyen, Viet D.; Haug, Graham C.; Dang, Hang T.; Jin, Shengfei; Li, Zhiliang; Flores-Hansen, Carsten; Benavides, Brenda S.; Arman, Hadi D.; Larionov, Oleg V. Alkene Synthesis by Photocatalytic Chemoenzymatically Compatible Dehydrodecarboxylation of Carboxylic Acids and Biomass ACS Catalysis 9(10) (2019) 9485
Space group: P 1 21 1
Cell volume: 4693.02
Cell parameters: 12.5451; 25.5594; 15.6511; 90; 110.747; 90;  

COD ID: 4514633
CIF file Formula: - C15 H17 N3 O4 S -
Comments: Nguyen, Vu T.; Nguyen, Viet D.; Haug, Graham C.; Dang, Hang T.; Jin, Shengfei; Li, Zhiliang; Flores-Hansen, Carsten; Benavides, Brenda S.; Arman, Hadi D.; Larionov, Oleg V. Alkene Synthesis by Photocatalytic Chemoenzymatically Compatible Dehydrodecarboxylation of Carboxylic Acids and Biomass ACS Catalysis 9(10) (2019) 9485
Space group: P 1 21/n 1
Cell volume: 1582.6
Cell parameters: 13.3181; 6.9639; 17.0635; 90; 90.091; 90;  

COD ID: 4514634
CIF file Formula: - C21 H17 N -
Comments: Nguyen, Vu T.; Nguyen, Viet D.; Haug, Graham C.; Dang, Hang T.; Jin, Shengfei; Li, Zhiliang; Flores-Hansen, Carsten; Benavides, Brenda S.; Arman, Hadi D.; Larionov, Oleg V. Alkene Synthesis by Photocatalytic Chemoenzymatically Compatible Dehydrodecarboxylation of Carboxylic Acids and Biomass ACS Catalysis 9(10) (2019) 9485
Space group: C 1 2/c 1
Cell volume: 4614.5
Cell parameters: 18.1884; 10.5558; 25.3027; 90; 108.216; 90;  

COD ID: 4514635
CIF file Formula: - C22 H19 N -
Comments: Nguyen, Vu T.; Nguyen, Viet D.; Haug, Graham C.; Dang, Hang T.; Jin, Shengfei; Li, Zhiliang; Flores-Hansen, Carsten; Benavides, Brenda S.; Arman, Hadi D.; Larionov, Oleg V. Alkene Synthesis by Photocatalytic Chemoenzymatically Compatible Dehydrodecarboxylation of Carboxylic Acids and Biomass ACS Catalysis 9(10) (2019) 9485
Space group: P 1 21/c 1
Cell volume: 1604.25
Cell parameters: 8.8592; 22.189; 8.984; 90; 114.717; 90;  

COD ID: 4514636
CIF file Formula: - C51 H57 Cl Ni O2 P2 -
Comments: McGuire, Ryan T.; Paffile, Julia F. J.; Zhou, Yuqiao; Stradiotto, Mark Nickel-Catalyzed C‒N Cross-Coupling of Ammonia, (Hetero)anilines, and Indoles with Activated (Hetero)aryl Chlorides Enabled by Ligand Design ACS Catalysis 9(10) (2019) 9292
Space group: P 1 21/n 1
Cell volume: 4474
Cell parameters: 13.151; 15.965; 21.319; 90; 91.921; 90;  

COD ID: 4514637
CIF file Formula: - C159 H188 Cl4 N12 Rh4 -
Comments: Azpíroz, Ramón; Di Giuseppe, Andrea; Urriolabeitia, Asier; Passarelli, Vincenzo; Polo, Victor; Pérez-Torrente, Jesús J.; Oro, Luis A.; Castarlenas, Ricardo Hydride‒Rhodium(III)-N-Heterocyclic Carbene Catalyst for Tandem Alkylation/Alkenylation via C‒H Activation ACS Catalysis 9(10) (2019) 9372
Space group: P 1 21/n 1
Cell volume: 6998.5
Cell parameters: 22.2298; 14.0027; 23.0551; 90; 102.788; 90;  

COD ID: 4514638
CIF file Formula: - C34 H36 Fe N O3 P S -
Comments: Han, Jie; Zhou, Wei; Zhang, Pei-Chao; Wang, Huamin; Zhang, Ronghua; Wu, Hai-Hong; Zhang, Junliang Design and Synthesis of WJ-Phos, and Application in Cu-Catalyzed Enantioselective Boroacylation of 1,1-Disubstituted Allenes ACS Catalysis 9(8) (2019) 6890
Space group: P 1 21 1
Cell volume: 1544.22
Cell parameters: 11.5035; 10.7831; 13.3149; 90; 110.777; 90;  

COD ID: 4514639
CIF file Formula: - C24 H29 B O3 -
Comments: Han, Jie; Zhou, Wei; Zhang, Pei-Chao; Wang, Huamin; Zhang, Ronghua; Wu, Hai-Hong; Zhang, Junliang Design and Synthesis of WJ-Phos, and Application in Cu-Catalyzed Enantioselective Boroacylation of 1,1-Disubstituted Allenes ACS Catalysis 9(8) (2019) 6890
Space group: P 21 21 21
Cell volume: 2128.7
Cell parameters: 8.8534; 12.6813; 18.9601; 90; 90; 90;  

COD ID: 4514640
CIF file Formula: - C38 H37 Cl3 Fe N O2 P S -
Comments: Han, Jie; Zhou, Wei; Zhang, Pei-Chao; Wang, Huamin; Zhang, Ronghua; Wu, Hai-Hong; Zhang, Junliang Design and Synthesis of WJ-Phos, and Application in Cu-Catalyzed Enantioselective Boroacylation of 1,1-Disubstituted Allenes ACS Catalysis 9(8) (2019) 6890
Space group: P 1 21 1
Cell volume: 1855.62
Cell parameters: 10.5036; 11.7796; 15.6619; 90; 106.748; 90;  

COD ID: 4514641
CIF file Formula: - C50 H60 N4 O4 Rh2 -
Comments: Zhu, Weihao; Luo, Zhongwen; Chen, Junqi; Liu, Chang; Yang, Lu; Dickie, Diane A.; Liu, Naiming; Zhang, Sen; Davis, Robert J.; Gunnoe, T. Brent Mechanistic Studies of Single-Step Styrene Production Catalyzed by Rh Complexes with Diimine Ligands: An Evaluation of the Role of Ligands and Induction Period ACS Catalysis 9(8) (2019) 7457
Space group: P 1 21/c 1
Cell volume: 4617.5
Cell parameters: 19.9451; 11.5613; 20.0794; 90; 94.241; 90;  

COD ID: 4514642
CIF file Formula: - C40 H26 F20 N4 O5 Rh2 -
Comments: Zhu, Weihao; Luo, Zhongwen; Chen, Junqi; Liu, Chang; Yang, Lu; Dickie, Diane A.; Liu, Naiming; Zhang, Sen; Davis, Robert J.; Gunnoe, T. Brent Mechanistic Studies of Single-Step Styrene Production Catalyzed by Rh Complexes with Diimine Ligands: An Evaluation of the Role of Ligands and Induction Period ACS Catalysis 9(8) (2019) 7457
Space group: P 1 21/c 1
Cell volume: 4397.1
Cell parameters: 23.889; 9.9822; 19.624; 90; 110.013; 90;  

COD ID: 4514643
CIF file Formula: - C103 H224 Ni4 O32 Si8 -
Comments: Moroz, Ilia B.; Lund, Alicia; Kaushik, Monu; Severy, Laurent; Gajan, David; Fedorov, Alexey; Lesage, Anne; Copéret, Christophe Specific Localization of Aluminum Sites Favors Ethene-to-Propene Conversion on (Al)MCM-41-Supported Ni(II) Single Sites ACS Catalysis 9(8) (2019) 7476
Space group: P 1 21/c 1
Cell volume: 13547.6
Cell parameters: 24.2076; 27.078; 21.532; 90; 106.288; 90;  

COD ID: 4514644
CIF file Formula: - C48 H60 Co Li N2 O -
Comments: Sandl, Sebastian; Maier, Thomas M.; van Leest, Nicolaas P.; Kröncke, Susanne; Chakraborty, Uttam; Demeshko, Serhiy; Koszinowski, Konrad; de Bruin, Bas; Meyer, Franc; Bodensteiner, Michael; Herrmann, Carmen; Wolf, Robert; Jacobi von Wangelin, Axel Cobalt-Catalyzed Hydrogenations via Olefin Cobaltate and Hydride Intermediates ACS Catalysis 9(8) (2019) 7596
Space group: P m n 21
Cell volume: 2022.66
Cell parameters: 17.4715; 10.5472; 10.9763; 90; 90; 90;  

COD ID: 4514645
CIF file Formula: - C45 H53 Co N2 -
Comments: Sandl, Sebastian; Maier, Thomas M.; van Leest, Nicolaas P.; Kröncke, Susanne; Chakraborty, Uttam; Demeshko, Serhiy; Koszinowski, Konrad; de Bruin, Bas; Meyer, Franc; Bodensteiner, Michael; Herrmann, Carmen; Wolf, Robert; Jacobi von Wangelin, Axel Cobalt-Catalyzed Hydrogenations via Olefin Cobaltate and Hydride Intermediates ACS Catalysis 9(8) (2019) 7596
Space group: P -1
Cell volume: 1920.22
Cell parameters: 12.3103; 12.6855; 13.5302; 69.519; 77.844; 79.251;  

COD ID: 4514646
CIF file Formula: - C36 H40 Br2 Co N2 -
Comments: Sandl, Sebastian; Maier, Thomas M.; van Leest, Nicolaas P.; Kröncke, Susanne; Chakraborty, Uttam; Demeshko, Serhiy; Koszinowski, Konrad; de Bruin, Bas; Meyer, Franc; Bodensteiner, Michael; Herrmann, Carmen; Wolf, Robert; Jacobi von Wangelin, Axel Cobalt-Catalyzed Hydrogenations via Olefin Cobaltate and Hydride Intermediates ACS Catalysis 9(8) (2019) 7596
Space group: P 1 21/c 1
Cell volume: 6823.9
Cell parameters: 27.0266; 12.0329; 22.8033; 90; 113.047; 90;  

COD ID: 4514648
CIF file Formula: - C90 H121 Co2 Li N4 O4.5 -
Comments: Sandl, Sebastian; Maier, Thomas M.; van Leest, Nicolaas P.; Kröncke, Susanne; Chakraborty, Uttam; Demeshko, Serhiy; Koszinowski, Konrad; de Bruin, Bas; Meyer, Franc; Bodensteiner, Michael; Herrmann, Carmen; Wolf, Robert; Jacobi von Wangelin, Axel Cobalt-Catalyzed Hydrogenations via Olefin Cobaltate and Hydride Intermediates ACS Catalysis 9(8) (2019) 7596
Space group: P b c a
Cell volume: 16544.6
Cell parameters: 25.0102; 21.4146; 30.8908; 90; 90; 90;  

COD ID: 4514649
CIF file Formula: - C92 H123 Co2 Li N4 O5 -
Comments: Sandl, Sebastian; Maier, Thomas M.; van Leest, Nicolaas P.; Kröncke, Susanne; Chakraborty, Uttam; Demeshko, Serhiy; Koszinowski, Konrad; de Bruin, Bas; Meyer, Franc; Bodensteiner, Michael; Herrmann, Carmen; Wolf, Robert; Jacobi von Wangelin, Axel Cobalt-Catalyzed Hydrogenations via Olefin Cobaltate and Hydride Intermediates ACS Catalysis 9(8) (2019) 7596
Space group: P 1 21/n 1
Cell volume: 8239.4
Cell parameters: 21.4917; 13.0279; 29.987; 90; 101.086; 90;  

COD ID: 4514650
CIF file Formula: - C48 H44 B Br N2 P4 -
Comments: Bäcker, Andreas; Li, Yinwu; Fritz, Maximilian; Grätz, Maik; Ke, Zhuofeng; Langer, Robert Redox-Active, Boron-Based Ligands in Iron Complexes with Inverted Hydride Reactivity in Dehydrogenation Catalysis ACS Catalysis 9(8) (2019) 7300
Space group: P -1
Cell volume: 2171.5
Cell parameters: 10.551; 12.062; 18.905; 82.63; 81.72; 66.18;  

COD ID: 4514651
CIF file Formula: - C54.5 H51 B Br Cl5 Fe O2 P4 -
Comments: Bäcker, Andreas; Li, Yinwu; Fritz, Maximilian; Grätz, Maik; Ke, Zhuofeng; Langer, Robert Redox-Active, Boron-Based Ligands in Iron Complexes with Inverted Hydride Reactivity in Dehydrogenation Catalysis ACS Catalysis 9(8) (2019) 7300
Space group: P -1
Cell volume: 2709
Cell parameters: 11.496; 12.374; 20.858; 97.02; 94.81; 111.71;  

COD ID: 4514652
CIF file Formula: - C18 H44 B Br Fe N2 O2 P4 -
Comments: Bäcker, Andreas; Li, Yinwu; Fritz, Maximilian; Grätz, Maik; Ke, Zhuofeng; Langer, Robert Redox-Active, Boron-Based Ligands in Iron Complexes with Inverted Hydride Reactivity in Dehydrogenation Catalysis ACS Catalysis 9(8) (2019) 7300
Space group: P 1 21/c 1
Cell volume: 2797.5
Cell parameters: 12.7253; 10.5434; 21.3482; 90; 102.389; 90;  

COD ID: 4514653
CIF file Formula: - C19 H43 B Br Fe N2 O3 P4 -
Comments: Bäcker, Andreas; Li, Yinwu; Fritz, Maximilian; Grätz, Maik; Ke, Zhuofeng; Langer, Robert Redox-Active, Boron-Based Ligands in Iron Complexes with Inverted Hydride Reactivity in Dehydrogenation Catalysis ACS Catalysis 9(8) (2019) 7300
Space group: P n a 21
Cell volume: 2848.5
Cell parameters: 14.623; 15.131; 12.874; 90; 90; 90;  

COD ID: 4514654
CIF file Formula: - C18 H21 N O5 S -
Comments: Zhou, Kehan; Zhu, Yan; Fan, Weitai; Chen, Yujie; Xu, Xu; Zhang, Jingyu; Zhao, Yingsheng Late-Stage Functionalization of Aromatic Acids with Aliphatic Aziridines: Direct Approach to Form β-Branched Arylethylamine Backbones ACS Catalysis 9(8) (2019) 6738
Space group: P 1 21/n 1
Cell volume: 1711.73
Cell parameters: 9.7666; 7.7835; 22.574; 90; 94.062; 90;  

COD ID: 4514655
CIF file Formula: - C18 H23 N O6 S -
Comments: Zhou, Kehan; Zhu, Yan; Fan, Weitai; Chen, Yujie; Xu, Xu; Zhang, Jingyu; Zhao, Yingsheng Late-Stage Functionalization of Aromatic Acids with Aliphatic Aziridines: Direct Approach to Form β-Branched Arylethylamine Backbones ACS Catalysis 9(8) (2019) 6738
Space group: P 1 21 1
Cell volume: 943.48
Cell parameters: 8.1162; 11.0214; 10.5496; 90; 91.17; 90;  

COD ID: 4514656
CIF file Formula: - C27 H48 Cl N2 P Ru -
Comments: Paulson, Erik R.; Moore, Curtis E.; Rheingold, Arnold L.; Pullman, David P.; Sindewald, Ryan W.; Cooksy, Andrew L.; Grotjahn, Douglas B. Dynamic π-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp*Ru(κ2-P,N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes ACS Catalysis 9(8) (2019) 7217
Space group: P 41
Cell volume: 5725.4
Cell parameters: 13.2477; 13.2477; 32.623; 90; 90; 90;  

COD ID: 4514657
CIF file Formula: - C24 H39 F9 N2 P2 Ru -
Comments: Paulson, Erik R.; Moore, Curtis E.; Rheingold, Arnold L.; Pullman, David P.; Sindewald, Ryan W.; Cooksy, Andrew L.; Grotjahn, Douglas B. Dynamic π-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp*Ru(κ2-P,N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes ACS Catalysis 9(8) (2019) 7217
Space group: P 1 21/c 1
Cell volume: 5865.7
Cell parameters: 22.5581; 12.7798; 22.1335; 90; 113.18; 90;  

COD ID: 4514658
CIF file Formula: - C40 H48 Cl4 F12 Ru4 -
Comments: Paulson, Erik R.; Moore, Curtis E.; Rheingold, Arnold L.; Pullman, David P.; Sindewald, Ryan W.; Cooksy, Andrew L.; Grotjahn, Douglas B. Dynamic π-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp*Ru(κ2-P,N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes ACS Catalysis 9(8) (2019) 7217
Space group: P -1
Cell volume: 4487.1
Cell parameters: 11.6853; 20.7278; 21.1082; 114.576; 96.847; 99.355;  

COD ID: 4514659
CIF file Formula: - C20 H34 Cl N2 P Ru -
Comments: Paulson, Erik R.; Moore, Curtis E.; Rheingold, Arnold L.; Pullman, David P.; Sindewald, Ryan W.; Cooksy, Andrew L.; Grotjahn, Douglas B. Dynamic π-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp*Ru(κ2-P,N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes ACS Catalysis 9(8) (2019) 7217
Space group: P 1 21/c 1
Cell volume: 2194.82
Cell parameters: 13.3641; 15.0206; 10.9602; 90; 93.975; 90;  

COD ID: 4514660
CIF file Formula: - C24 H42 F6 N2 P2 Ru -
Comments: Paulson, Erik R.; Moore, Curtis E.; Rheingold, Arnold L.; Pullman, David P.; Sindewald, Ryan W.; Cooksy, Andrew L.; Grotjahn, Douglas B. Dynamic π-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp*Ru(κ2-P,N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes ACS Catalysis 9(8) (2019) 7217
Space group: P n a 21
Cell volume: 2860.67
Cell parameters: 22.7385; 13.1551; 9.5634; 90; 90; 90;  

COD ID: 4514661
CIF file Formula: - C20 H31 Cl F3 N2 P Ru -
Comments: Paulson, Erik R.; Moore, Curtis E.; Rheingold, Arnold L.; Pullman, David P.; Sindewald, Ryan W.; Cooksy, Andrew L.; Grotjahn, Douglas B. Dynamic π-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp*Ru(κ2-P,N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes ACS Catalysis 9(8) (2019) 7217
Space group: P 1 21/c 1
Cell volume: 2263.3
Cell parameters: 13.915; 14.954; 10.922; 90; 95.212; 90;  

COD ID: 4514662
CIF file Formula: - C24.5 H0.5 Cl1.5 N2 O2 S3 -
Comments: Liang, Yaoyu; Zhao, Xiaodan Enantioselective Construction of Chiral Sulfides via Catalytic Electrophilic Azidothiolation and Oxythiolation of N-Allyl Sulfonamides ACS Catalysis 9(8) (2019) 6896
Space group: P 1
Cell volume: 1256.02
Cell parameters: 5.7084; 14.6112; 15.7856; 72.801; 87.877; 87.344;  

COD ID: 4514663
CIF file Formula: - C19 H32 Fe N5 O7 S2 -
Comments: Warner, Genoa R.; Somasundar, Yogesh; Jansen, Kyle C.; Kaaret, Evan Z.; Weng, Cindy; Burton, Abigail E.; Mills, Matthew R.; Shen, Longzhu Q.; Ryabov, Alexander D.; Pros, Gabrielle; Pintauer, Tomislav; Biswas, Saborni; Hendrich, Michael P.; Taylor, Julia A.; Vom Saal, Frederick S.; Collins, Terrence J. Bioinspired, Multidisciplinary, Iterative Catalyst Design Creates the Highest Performance Peroxidase Mimics and the Field of Sustainable Ultradilute Oxidation Catalysis (SUDOC) ACS Catalysis 9(8) (2019) 7023
Space group: P 1 21/c 1
Cell volume: 2447.6
Cell parameters: 11.986; 9.3819; 21.7658; 90; 90; 90;  

COD ID: 4514664
CIF file Formula: - C20 H21 N -
Comments: Ping, Yuanyuan; Wang, Kuai; Pan, Qi; Ding, Zhengtian; Zhou, Zhijun; Guo, Ya; Kong, Wangqing Ni-Catalyzed Regio- and Enantioselective Domino Reductive Cyclization: One-Pot Synthesis of 2,3-Fused Cyclopentannulated Indolines ACS Catalysis 9(8) (2019) 7335
Space group: P 1 21/c 1
Cell volume: 1596.1
Cell parameters: 10.3039; 11.9306; 12.985; 90; 90.816; 90;  

COD ID: 4514665
CIF file Formula: - C20 H21 N -
Comments: Ping, Yuanyuan; Wang, Kuai; Pan, Qi; Ding, Zhengtian; Zhou, Zhijun; Guo, Ya; Kong, Wangqing Ni-Catalyzed Regio- and Enantioselective Domino Reductive Cyclization: One-Pot Synthesis of 2,3-Fused Cyclopentannulated Indolines ACS Catalysis 9(8) (2019) 7335
Space group: P 1 21/c 1
Cell volume: 1581.83
Cell parameters: 10.2763; 11.8965; 12.9403; 90; 90.785; 90;  

COD ID: 4514666
CIF file Formula: - C108 H92 Cl12 N8 O4 -
Comments: Ping, Yuanyuan; Wang, Kuai; Pan, Qi; Ding, Zhengtian; Zhou, Zhijun; Guo, Ya; Kong, Wangqing Ni-Catalyzed Regio- and Enantioselective Domino Reductive Cyclization: One-Pot Synthesis of 2,3-Fused Cyclopentannulated Indolines ACS Catalysis 9(8) (2019) 7335
Space group: C 1 c 1
Cell volume: 2512.18
Cell parameters: 16.9269; 16.7619; 8.8583; 90; 91.738; 90;  

COD ID: 4514667
CIF file Formula: - C18 H14 Br F3 N2 O3 -
Comments: Ibáñez, Ignacio; Kaneko, Mio; Kamei, Yuto; Tsutsumi, Ryosuke; Yamanaka, Masahiro; Akiyama, Takahiko Enantioselective Friedel‒Crafts Alkylation Reaction of Indoles with α-Trifluoromethylated β-Nitrostyrenes Catalyzed by Chiral BINOL Metal Phosphate ACS Catalysis 9(8) (2019) 6903
Space group: P 1 21 1
Cell volume: 1785
Cell parameters: 9.89; 9.938; 18.564; 90; 101.954; 90;  

COD ID: 4514668
CIF file Formula: - C38 H27 Br3 N2 O3 -
Comments: Ibáñez, Ignacio; Kaneko, Mio; Kamei, Yuto; Tsutsumi, Ryosuke; Yamanaka, Masahiro; Akiyama, Takahiko Enantioselective Friedel‒Crafts Alkylation Reaction of Indoles with α-Trifluoromethylated β-Nitrostyrenes Catalyzed by Chiral BINOL Metal Phosphate ACS Catalysis 9(8) (2019) 6903
Space group: P 21 21 21
Cell volume: 3223.1
Cell parameters: 6.8271; 16.06; 29.396; 90; 90; 90;  

COD ID: 4514669
CIF file Formula: - C25 H25 Br N2 O2 S -
Comments: Ibáñez, Ignacio; Kaneko, Mio; Kamei, Yuto; Tsutsumi, Ryosuke; Yamanaka, Masahiro; Akiyama, Takahiko Enantioselective Friedel‒Crafts Alkylation Reaction of Indoles with α-Trifluoromethylated β-Nitrostyrenes Catalyzed by Chiral BINOL Metal Phosphate ACS Catalysis 9(8) (2019) 6903
Space group: P 41
Cell volume: 4569.7
Cell parameters: 9.7248; 9.7248; 48.32; 90; 90; 90;  

COD ID: 4514670
CIF file Formula: - C22 H20 O2 -
Comments: Giri, Sovan Sundar; Liu, Rai-Shung Copper-Catalyzed [4+2]-Cycloadditions of Isoxazoles with 2-Alkynylbenzaldehydes To Access Distinct α-Carbonylnaphthalene Derivatives: C(3,4)- versus C(4,5)-Regioselectivity at Isoxazoles ACS Catalysis 9(8) (2019) 7328
Space group: C 1 2/c 1
Cell volume: 3371.9
Cell parameters: 15.8408; 13.142; 16.3982; 90; 98.987; 90;  

COD ID: 4514671
CIF file Formula: - C25 H19 N O2 -
Comments: Giri, Sovan Sundar; Liu, Rai-Shung Copper-Catalyzed [4+2]-Cycloadditions of Isoxazoles with 2-Alkynylbenzaldehydes To Access Distinct α-Carbonylnaphthalene Derivatives: C(3,4)- versus C(4,5)-Regioselectivity at Isoxazoles ACS Catalysis 9(8) (2019) 7328
Space group: P 1 21/c 1
Cell volume: 3685.5
Cell parameters: 15.6269; 10.8792; 22.0724; 90; 100.839; 90;  

COD ID: 4514672
CIF file Formula: - C18 H11 N O -
Comments: Giri, Sovan Sundar; Liu, Rai-Shung Copper-Catalyzed [4+2]-Cycloadditions of Isoxazoles with 2-Alkynylbenzaldehydes To Access Distinct α-Carbonylnaphthalene Derivatives: C(3,4)- versus C(4,5)-Regioselectivity at Isoxazoles ACS Catalysis 9(8) (2019) 7328
Space group: P 1 21/c 1
Cell volume: 5168.7
Cell parameters: 8.2853; 31.984; 19.542; 90; 93.546; 90;  

COD ID: 4514673
CIF file Formula: - C22 H14 N4 -
Comments: Giri, Sovan Sundar; Liu, Rai-Shung Copper-Catalyzed [4+2]-Cycloadditions of Isoxazoles with 2-Alkynylbenzaldehydes To Access Distinct α-Carbonylnaphthalene Derivatives: C(3,4)- versus C(4,5)-Regioselectivity at Isoxazoles ACS Catalysis 9(8) (2019) 7328
Space group: P 1 21/c 1
Cell volume: 1652.91
Cell parameters: 9.9466; 17.8664; 9.4521; 90; 100.253; 90;  

COD ID: 4514674
CIF file Formula: - C19 H13 N O -
Comments: Giri, Sovan Sundar; Liu, Rai-Shung Copper-Catalyzed [4+2]-Cycloadditions of Isoxazoles with 2-Alkynylbenzaldehydes To Access Distinct α-Carbonylnaphthalene Derivatives: C(3,4)- versus C(4,5)-Regioselectivity at Isoxazoles ACS Catalysis 9(8) (2019) 7328
Space group: P -1
Cell volume: 687.2
Cell parameters: 7.861; 9.282; 9.934; 83.675; 72.702; 85.815;  

COD ID: 4514675
CIF file Formula: - C30 H22 O3 -
Comments: Giri, Sovan Sundar; Liu, Rai-Shung Copper-Catalyzed [4+2]-Cycloadditions of Isoxazoles with 2-Alkynylbenzaldehydes To Access Distinct α-Carbonylnaphthalene Derivatives: C(3,4)- versus C(4,5)-Regioselectivity at Isoxazoles ACS Catalysis 9(8) (2019) 7328
Space group: P 1 21/c 1
Cell volume: 4391.3
Cell parameters: 24.6109; 12.239; 14.7299; 90; 98.22; 90;  

COD ID: 4514676
CIF file Formula: - C54 H55 B F4 N3 O5 P2 Rh -
Comments: Daubignard, Julien; Lutz, Martin; Detz, Remko J.; de Bruin, Bas; Reek, Joost N. H. Origin of the Selectivity and Activity in the Rhodium-Catalyzed Asymmetric Hydrogenation Using Supramolecular Ligands ACS Catalysis 9(8) (2019) 7535
Space group: P -1
Cell volume: 5874.4
Cell parameters: 14.1394; 15.0162; 28.9031; 77.688; 87.174; 78.469;  

COD ID: 4514677
CIF file Formula: - C50 H49 B F4 N5 O5 P2 Rh -
Comments: Daubignard, Julien; Lutz, Martin; Detz, Remko J.; de Bruin, Bas; Reek, Joost N. H. Origin of the Selectivity and Activity in the Rhodium-Catalyzed Asymmetric Hydrogenation Using Supramolecular Ligands ACS Catalysis 9(8) (2019) 7535
Space group: P -1
Cell volume: 2421.15
Cell parameters: 12.6207; 13.6039; 15.2008; 72.598; 83.301; 76.784;  

COD ID: 4514678
CIF file Formula: - C92 H86 B2 F8 N6 O10 P4 Rh2 -
Comments: Daubignard, Julien; Lutz, Martin; Detz, Remko J.; de Bruin, Bas; Reek, Joost N. H. Origin of the Selectivity and Activity in the Rhodium-Catalyzed Asymmetric Hydrogenation Using Supramolecular Ligands ACS Catalysis 9(8) (2019) 7535
Space group: P 1 21/n 1
Cell volume: 5600.1
Cell parameters: 14.1446; 25.4077; 15.6384; 90; 94.839; 90;  

COD ID: 4514679
CIF file Formula: - C17 H21 B Br N O2 -
Comments: Jia, Tao; Smith, Marshall J.; Pulis, Alexander P.; Perry, Gregory J. P.; Procter, David J. Enantioselective and Regioselective Copper-Catalyzed Borocyanation of 1-Aryl-1,3-Butadienes ACS Catalysis 9(8) (2019) 6744
Space group: P 1 21 1
Cell volume: 1744.59
Cell parameters: 11.3502; 7.45; 20.6376; 90; 91.376; 90;  

COD ID: 4514680
CIF file Formula: - C20 H16 Br N O2 -
Comments: Jia, Tao; Smith, Marshall J.; Pulis, Alexander P.; Perry, Gregory J. P.; Procter, David J. Enantioselective and Regioselective Copper-Catalyzed Borocyanation of 1-Aryl-1,3-Butadienes ACS Catalysis 9(8) (2019) 6744
Space group: P 1 21 1
Cell volume: 1754.64
Cell parameters: 14.62776; 8.05742; 15.00218; 90; 97.0979; 90;  

COD ID: 4514681
CIF file Formula: - C11 H10 I0.96 N O -
Comments: Jia, Tao; Smith, Marshall J.; Pulis, Alexander P.; Perry, Gregory J. P.; Procter, David J. Enantioselective and Regioselective Copper-Catalyzed Borocyanation of 1-Aryl-1,3-Butadienes ACS Catalysis 9(8) (2019) 6744
Space group: P 1 21 1
Cell volume: 539.86
Cell parameters: 9.8268; 5.6439; 9.8652; 90; 99.353; 90;  

COD ID: 4514682
CIF file Formula: - C14 H24 N2 O4 Pd -
Comments: Feng, Wenhui; Wang, Tianyang; Liu, Dongzhi; Wang, Xiaotai; Dang, Yanfeng Mechanism of the Palladium-Catalyzed C(sp3)‒H Arylation of Aliphatic Amines: Unraveling the Crucial Role of Silver(I) Additives ACS Catalysis 9(8) (2019) 6672
Space group: P 1 21/c 1
Cell volume: 838.2
Cell parameters: 9.3121; 10.7025; 8.4772; 90; 97.201; 90;  

COD ID: 4514683
CIF file Formula: - C42 H35 F12 N11 P2 Pd2 -
Comments: Zhu, Jiancheng; Lindsay, Vincent N. G. Benzimidazolyl Palladium Complexes as Highly Active and General Bifunctional Catalysts in Sustainable Cross-Coupling Reactions ACS Catalysis 9(8) (2019) 6993
Space group: P -1
Cell volume: 2250.17
Cell parameters: 12.0088; 12.3492; 17.137; 101.431; 106.142; 105.372;  

COD ID: 4514684
CIF file Formula: - C25 H20 Cl F6 N4 O P Pd -
Comments: Zhu, Jiancheng; Lindsay, Vincent N. G. Benzimidazolyl Palladium Complexes as Highly Active and General Bifunctional Catalysts in Sustainable Cross-Coupling Reactions ACS Catalysis 9(8) (2019) 6993
Space group: P -1
Cell volume: 1256.4
Cell parameters: 8.7896; 12.4079; 13.433; 108.517; 105.407; 103.424;  

COD ID: 4514685
CIF file Formula: - C45 H48 F12 N8 O3 P2 Pd2 -
Comments: Zhu, Jiancheng; Lindsay, Vincent N. G. Benzimidazolyl Palladium Complexes as Highly Active and General Bifunctional Catalysts in Sustainable Cross-Coupling Reactions ACS Catalysis 9(8) (2019) 6993
Space group: C 1 2/c 1
Cell volume: 4842
Cell parameters: 25.202; 8.3844; 24.157; 90; 108.454; 90;  

COD ID: 4514686
CIF file Formula: - C12 H11 Br F3 N3 O2 -
Comments: Chen, Zhen; Ren, Nan; Ma, Xiaoxiao; Nie, Jing; Zhang, Fa-Guang; Ma, Jun-An Silver-Catalyzed [3 + 3] Dipolar Cycloaddition of Trifluorodiazoethane and Glycine Imines: Access to Highly Functionalized Trifluoromethyl-Substituted Triazines and Pyridines ACS Catalysis 9(5) (2019) 4600
Space group: P 1 21/c 1
Cell volume: 2973.4
Cell parameters: 10.3636; 10.0648; 28.9197; 90; 99.7; 90;  

COD ID: 4514687
CIF file Formula: - C15 H11 Cl F3 N O2 -
Comments: Chen, Zhen; Ren, Nan; Ma, Xiaoxiao; Nie, Jing; Zhang, Fa-Guang; Ma, Jun-An Silver-Catalyzed [3 + 3] Dipolar Cycloaddition of Trifluorodiazoethane and Glycine Imines: Access to Highly Functionalized Trifluoromethyl-Substituted Triazines and Pyridines ACS Catalysis 9(5) (2019) 4600
Space group: P 1 21/n 1
Cell volume: 1513
Cell parameters: 17.29; 4.519; 20.77; 90; 111.24; 90;  

COD ID: 4514688
CIF file Formula: - C34 H26 N2 -
Comments: Noto, Naoki; Koike, Takashi; Akita, Munetaka Visible-Light-Triggered Monofluoromethylation of Alkenes by Strongly Reducing 1,4-Bis(diphenylamino)naphthalene Photoredox Catalysis ACS Catalysis 9(5) (2019) 4382
Space group: P 1 21/n 1
Cell volume: 2467.6
Cell parameters: 11.5593; 7.8828; 27.35; 90; 98.043; 90;  

COD ID: 4514689
CIF file Formula: - C21 H20 F3 N O5 S -
Comments: He, Xiao-Long; Zhao, Hui-Ru; Song, Xue; Jiang, Bo; Du, Wei; Chen, Ying-Chun Asymmetric Barton‒Zard Reaction To Access 3-Pyrrole-Containing Axially Chiral Skeletons ACS Catalysis 9(5) (2019) 4374
Space group: P 1
Cell volume: 1077.42
Cell parameters: 9.0328; 9.506; 13.9771; 90.165; 95.249; 115.51;  

COD ID: 4514690
CIF file Formula: - C24 H25 N3 O4 -
Comments: He, Xiao-Long; Zhao, Hui-Ru; Song, Xue; Jiang, Bo; Du, Wei; Chen, Ying-Chun Asymmetric Barton‒Zard Reaction To Access 3-Pyrrole-Containing Axially Chiral Skeletons ACS Catalysis 9(5) (2019) 4374
Space group: P 21 21 21
Cell volume: 2187.91
Cell parameters: 9.2464; 10.0773; 23.4808; 90; 90; 90;  

COD ID: 4514691
CIF file Formula: - C25 H17 N O -
Comments: Yuan, Hairui; Guo, Lirong; Liu, Fengting; Miao, Zechen; Feng, Lei; Gao, Hongyin Copper-Catalyzed Tandem O-Vinylation of Arylhydroxylamines/[3,3]-Rearrangement/Cyclization: Synthesis of Highly Substituted Indoles and Benzoindoles ACS Catalysis 9(5) (2019) 3906
Space group: P 1 21/n 1
Cell volume: 1794
Cell parameters: 8.618; 11.775; 18.166; 90; 103.293; 90;  

COD ID: 4514692
CIF file Formula: - C31 H21 N O -
Comments: Yuan, Hairui; Guo, Lirong; Liu, Fengting; Miao, Zechen; Feng, Lei; Gao, Hongyin Copper-Catalyzed Tandem O-Vinylation of Arylhydroxylamines/[3,3]-Rearrangement/Cyclization: Synthesis of Highly Substituted Indoles and Benzoindoles ACS Catalysis 9(5) (2019) 3906
Space group: P 21 21 21
Cell volume: 2277.65
Cell parameters: 8.1125; 12.1517; 23.1044; 90; 90; 90;  

COD ID: 4514693
CIF file Formula: - C24 H46 N6 Ni O6 -
Comments: Garrido-Barros, Pablo; Grau, Sergi; Drouet, Samuel; Benet-Buchholz, Jordi; Gimbert-Suriñach, Carolina; Llobet, Antoni Can Ni Complexes Behave as Molecular Water Oxidation Catalysts? ACS Catalysis 9(5) (2019) 3936
Space group: P 21 21 21
Cell volume: 2861.9
Cell parameters: 8.7123; 16.0813; 20.4271; 90; 90; 90;  

COD ID: 4514694
CIF file Formula: - C21 H44 N6 Ni O9 -
Comments: Garrido-Barros, Pablo; Grau, Sergi; Drouet, Samuel; Benet-Buchholz, Jordi; Gimbert-Suriñach, Carolina; Llobet, Antoni Can Ni Complexes Behave as Molecular Water Oxidation Catalysts? ACS Catalysis 9(5) (2019) 3936
Space group: C 1 2/c 1
Cell volume: 5438
Cell parameters: 55.552; 6.2616; 15.8906; 90; 100.323; 90;  

COD ID: 4514695
CIF file Formula: - C26 H29 N O -
Comments: Han, Chunhua; Fu, Zhiyuan; Guo, Songjin; Fang, Xinxin; Lin, Aijun; Yao, Hequan Palladium-Catalyzed Remote 1,n-Arylamination of Unactivated Terminal Alkenes ACS Catalysis 9(5) (2019) 4196
Space group: P 1 21/c 1
Cell volume: 2036.8
Cell parameters: 6.2208; 18.757; 17.484; 90; 93.268; 90;  

COD ID: 4514696
CIF file Formula: - C58 H84 F7 N2 O4 P Pd S -
Comments: Dennis, Joseph M.; White, Nicholas A.; Liu, Richard Y.; Buchwald, Stephen L. Pd-Catalyzed C‒N Coupling Reactions Facilitated by Organic Bases: Mechanistic Investigation Leads to Enhanced Reactivity in the Arylation of Weakly Binding Amines ACS Catalysis 9(5) (2019) 3822
Space group: P 1 21/c 1
Cell volume: 6349.4
Cell parameters: 20.138; 13.1828; 24.998; 90; 106.912; 90;  

COD ID: 4514697
CIF file Formula: - C43 H73.5 P2 Ru S -
Comments: Zhou, Xiaoguang; Malakar, Santanu; Zhou, Tian; Murugesan, Sathiyamoorthy; Huang, Carlos; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S. Catalytic Alkane Transfer Dehydrogenation by PSP-Pincer-Ligated Ruthenium. Deactivation of an Extremely Reactive Fragment by Formation of Allyl Hydride Complexes ACS Catalysis 9(5) (2019) 4072
Space group: P -1
Cell volume: 4280.3
Cell parameters: 13.159; 15.396; 21.596; 90.092; 92.283; 101.727;  

COD ID: 4514698
CIF file Formula: - C38 H62 P2 Ru S -
Comments: Zhou, Xiaoguang; Malakar, Santanu; Zhou, Tian; Murugesan, Sathiyamoorthy; Huang, Carlos; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S. Catalytic Alkane Transfer Dehydrogenation by PSP-Pincer-Ligated Ruthenium. Deactivation of an Extremely Reactive Fragment by Formation of Allyl Hydride Complexes ACS Catalysis 9(5) (2019) 4072
Space group: P 1 21/c 1
Cell volume: 3795.4
Cell parameters: 13.2907; 15.6689; 18.8836; 90; 105.176; 90;  

COD ID: 4514699
CIF file Formula: - C30 H41 Br1.02 Fe P3 -
Comments: Schild, Dirk J.; Peters, Jonas C. Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation. ACS catalysis 9(5) (2019) 4286-4295
Space group: P -1
Cell volume: 1515.2
Cell parameters: 9.4966; 9.593; 17.63; 101.894; 96.481; 102.236;  

COD ID: 4514700
CIF file Formula: - C30 H41 Fe N4 P3 -
Comments: Schild, Dirk J.; Peters, Jonas C. Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation. ACS catalysis 9(5) (2019) 4286-4295
Space group: P 1 21/c 1
Cell volume: 3038
Cell parameters: 17.626; 10.7764; 16.1774; 90; 98.63; 90;  

COD ID: 4514701
CIF file Formula: - C129 H106 B2 F48 Fe2 N8 P6 -
Comments: Schild, Dirk J.; Peters, Jonas C. Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation. ACS catalysis 9(5) (2019) 4286-4295
Space group: P 1 21/n 1
Cell volume: 6774.7
Cell parameters: 22.4451; 12.1053; 25.482; 90; 101.904; 90;  

COD ID: 4514702
CIF file Formula: - C42 H65 Fe K N2 O6 P3 -
Comments: Schild, Dirk J.; Peters, Jonas C. Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation. ACS catalysis 9(5) (2019) 4286-4295
Space group: P 1 21/n 1
Cell volume: 4470.5
Cell parameters: 10.4864; 23.9154; 17.8619; 90; 93.645; 90;  

COD ID: 4514703
CIF file Formula: - C40 H61 Fe K N2 O4 P3 -
Comments: Schild, Dirk J.; Peters, Jonas C. Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation. ACS catalysis 9(5) (2019) 4286-4295
Space group: P n m a
Cell volume: 5386.2
Cell parameters: 25.9569; 17.0296; 12.1851; 90; 90; 90;  

COD ID: 4514704
CIF file Formula: - C84 H130 Fe2 K4 N4 O6 P6 -
Comments: Schild, Dirk J.; Peters, Jonas C. Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation. ACS catalysis 9(5) (2019) 4286-4295
Space group: P 1 21/n 1
Cell volume: 4456.1
Cell parameters: 14.6713; 16.6256; 18.7129; 90; 102.506; 90;  

COD ID: 4514705
CIF file Formula: - C33 H50 Fe K N2 P3 Si -
Comments: Schild, Dirk J.; Peters, Jonas C. Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation. ACS catalysis 9(5) (2019) 4286-4295
Space group: P 21 21 21
Cell volume: 3598
Cell parameters: 10.5863; 16.3326; 20.8095; 90; 90; 90;  

COD ID: 4514706
CIF file Formula: - C28 H26 N4 O2 Pd -
Comments: Luo, Yun-Cheng; Yang, Chao; Qiu, Sheng-Qi; Liang, Qiu-Ju; Xu, Yun-He; Loh, Teck-Peng Palladium(II)-Catalyzed Stereospecific Alkenyl C‒H Bond Alkylation of Allylamines with Alkyl Iodides ACS Catalysis 9(5) (2019) 4271
Space group: P 1 21/n 1
Cell volume: 2426.75
Cell parameters: 8.3908; 20.0893; 14.6398; 90; 100.46; 90;  

COD ID: 4514707
CIF file Formula: - C26 H28 Cl2 Co N4 O -
Comments: Chen, Xu; Cheng, Zhaoyang; Lu, Zhan Cobalt-Catalyzed Asymmetric Markovnikov Hydroboration of Styrenes ACS Catalysis 9(5) (2019) 4025
Space group: P 21 21 21
Cell volume: 2651.5
Cell parameters: 9.5625; 11.3203; 24.4937; 90; 90; 90;  

COD ID: 4514708
CIF file Formula: - C63 H73 Ni2 O3 P2 -
Comments: Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes ACS Catalysis 9(5) (2019) 3849
Space group: P -1
Cell volume: 2763.17
Cell parameters: 10.2617; 16.0861; 17.7316; 100.697; 90.004; 105.821;  

COD ID: 4514709
CIF file Formula: - C32 H37 Ni O2 P S -
Comments: Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes ACS Catalysis 9(5) (2019) 3849
Space group: P -1
Cell volume: 1443.8
Cell parameters: 8.6245; 9.0612; 20.838; 84.848; 88.901; 62.929;  

COD ID: 4514710
CIF file Formula: - C34 H42 B Ni O3 P -
Comments: Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes ACS Catalysis 9(5) (2019) 3849
Space group: P 1 21/c 1
Cell volume: 3156.7
Cell parameters: 22.1829; 9.2102; 15.4936; 90; 94.271; 90;  

COD ID: 4514711
CIF file Formula: - C36 H44 B Ni O P -
Comments: Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes ACS Catalysis 9(5) (2019) 3849
Space group: P 1 21/n 1
Cell volume: 3105.5
Cell parameters: 8.8285; 20.3843; 17.3286; 90; 95.23; 90;  

COD ID: 4514712
CIF file Formula: - C28 H31 Ni P -
Comments: Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes ACS Catalysis 9(5) (2019) 3849
Space group: P -1
Cell volume: 2392.67
Cell parameters: 8.8889; 15.1597; 17.8889; 91.217; 96.831; 90.693;  

COD ID: 4514713
CIF file Formula: - C28 H30 Br Ni P -
Comments: Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes ACS Catalysis 9(5) (2019) 3849
Space group: P n a 21
Cell volume: 2476.28
Cell parameters: 16.7529; 10.1199; 14.6061; 90; 90; 90;  

COD ID: 4514714
CIF file Formula: - C21 H31 B2 N O4 -
Comments: Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes ACS Catalysis 9(5) (2019) 3849
Space group: P 1 21/c 1
Cell volume: 2239.97
Cell parameters: 15.588; 10.6978; 14.1186; 90; 107.935; 90;  

COD ID: 4514715
CIF file Formula: - C23 H21 Br N2 O3 -
Comments: Das, Tamal Kanti; Ghosh, Avik; Balanna, Kuruva; Behera, Pradipta; Gonnade, Rajesh G.; Marelli, Udaya Kiran; Das, Abhijit Kumar; Biju, Akkattu T. N-Heterocyclic Carbene-Catalyzed Umpolung of Imines for the Enantioselective Synthesis of Dihydroquinoxalines ACS Catalysis 9(5) (2019) 4065
Space group: P 32
Cell volume: 1537.51
Cell parameters: 9.5332; 9.5332; 19.5349; 90; 90; 120;  

COD ID: 4514716
CIF file Formula: - C14 H11 N O2 S2 -
Comments: Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V. Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis ACS Catalysis 9(5) (2019) 4015
Space group: P 1 21/n 1
Cell volume: 1299.75
Cell parameters: 8.3903; 17.9634; 9.3448; 90; 112.656; 90;  

COD ID: 4514717
CIF file Formula: - C18 H10 Br2 N2 O2 S -
Comments: Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V. Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis ACS Catalysis 9(5) (2019) 4015
Space group: I 1 2/a 1
Cell volume: 1616.57
Cell parameters: 17.7962; 4.9199; 19.1526; 90; 105.417; 90;  

COD ID: 4514718
CIF file Formula: - C12 H11 N O2 S -
Comments: Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V. Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis ACS Catalysis 9(5) (2019) 4015
Space group: P 1 21/c 1
Cell volume: 1081.76
Cell parameters: 14.2892; 10.414; 7.4904; 90; 103.95; 90;  

COD ID: 4514719
CIF file Formula: - C18 H10 Cl2 N2 S -
Comments: Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V. Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis ACS Catalysis 9(5) (2019) 4015
Space group: I 1 2/c 1
Cell volume: 6186.1
Cell parameters: 18.9763; 13.5616; 24.1428; 90; 95.348; 90;  

COD ID: 4514720
CIF file Formula: - C10 H8 Cl N O2 S -
Comments: Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V. Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis ACS Catalysis 9(5) (2019) 4015
Space group: P 1 21/c 1
Cell volume: 984.18
Cell parameters: 14.4698; 5.8318; 11.9918; 90; 103.449; 90;  

COD ID: 4514721
CIF file Formula: - C17 H15 Cl N2 O4 S -
Comments: Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V. Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis ACS Catalysis 9(5) (2019) 4015
Space group: P 1 21/n 1
Cell volume: 1659.16
Cell parameters: 10.7209; 11.7327; 13.2944; 90; 97.17; 90;  

COD ID: 4514722
CIF file Formula: - C16 H13 N O2 S -
Comments: Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V. Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis ACS Catalysis 9(5) (2019) 4015
Space group: P 1 21/c 1
Cell volume: 1379.96
Cell parameters: 8.3782; 8.266; 20.0756; 90; 97; 90;  

COD ID: 4514723
CIF file Formula: - C18 H10 Cl2 N2 O2 S -
Comments: Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V. Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis ACS Catalysis 9(5) (2019) 4015
Space group: P 1 21/c 1
Cell volume: 1588.37
Cell parameters: 12.9582; 9.0843; 14.2001; 90; 108.155; 90;  

COD ID: 4514724
CIF file Formula: - C14 H13 N O2 S -
Comments: Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V. Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis ACS Catalysis 9(5) (2019) 4015
Space group: P 21 21 21
Cell volume: 1281.8
Cell parameters: 8.9497; 9.3068; 15.389; 90; 90; 90;  

COD ID: 4514725
CIF file Formula: - C16 H12 Cl N O2 S -
Comments: Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V. Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis ACS Catalysis 9(5) (2019) 4015
Space group: P 1 21/c 1
Cell volume: 1396.88
Cell parameters: 8.2088; 24.9454; 6.8433; 90; 94.558; 90;  

COD ID: 4514726
CIF file Formula: - C18 H12 N2 O2 S -
Comments: Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V. Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis ACS Catalysis 9(5) (2019) 4015
Space group: P -1
Cell volume: 1449.62
Cell parameters: 7.6361; 13.7285; 14.864; 69.516; 85.244; 83.871;  

COD ID: 4514727
CIF file Formula: - C17 H14 F N O4 S -
Comments: Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V. Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis ACS Catalysis 9(5) (2019) 4015
Space group: P -1
Cell volume: 735.96
Cell parameters: 7.5118; 8.3229; 12.1237; 84.045; 88.396; 77.487;  

COD ID: 4514728
CIF file Formula: - C22 H24 N2 O6 S -
Comments: Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V. Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis ACS Catalysis 9(5) (2019) 4015
Space group: P -1
Cell volume: 1018.49
Cell parameters: 7.8092; 9.7669; 14.5366; 104.686; 101.315; 100.756;  

COD ID: 4514729
CIF file Formula: - C22 H22 Cl N O2 S -
Comments: Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V. Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis ACS Catalysis 9(5) (2019) 4015
Space group: C 1 2/c 1
Cell volume: 3906.54
Cell parameters: 15.7798; 11.6418; 22.199; 90; 106.677; 90;  

COD ID: 4514730
CIF file Formula: - C18 H20 I2 N4 Pd -
Comments: Chernyshev, Victor M.; Astakhov, Alexander V.; Chikunov, Ilya E.; Tyurin, Roman V.; Eremin, Dmitry B.; Ranny, Gleb S.; Khrustalev, Victor N.; Ananikov, Valentine P. Pd and Pt Catalyst Poisoning in the Study of Reaction Mechanisms: What Does the Mercury Test Mean for Catalysis? ACS Catalysis 9(4) (2019) 2984
Space group: P 1 21/c 1
Cell volume: 1020.8
Cell parameters: 8.3065; 16.337; 7.6187; 90; 99.14; 90;  

COD ID: 4514731
CIF file Formula: - C26 H36 Br4 Hg2 N4 -
Comments: Chernyshev, Victor M.; Astakhov, Alexander V.; Chikunov, Ilya E.; Tyurin, Roman V.; Eremin, Dmitry B.; Ranny, Gleb S.; Khrustalev, Victor N.; Ananikov, Valentine P. Pd and Pt Catalyst Poisoning in the Study of Reaction Mechanisms: What Does the Mercury Test Mean for Catalysis? ACS Catalysis 9(4) (2019) 2984
Space group: C 1 2/c 1
Cell volume: 3378.6
Cell parameters: 18.486; 9.2309; 20.682; 90; 106.8; 90;  

COD ID: 4514732
CIF file Formula: - C18 H20 Hg2 I4 N4 -
Comments: Chernyshev, Victor M.; Astakhov, Alexander V.; Chikunov, Ilya E.; Tyurin, Roman V.; Eremin, Dmitry B.; Ranny, Gleb S.; Khrustalev, Victor N.; Ananikov, Valentine P. Pd and Pt Catalyst Poisoning in the Study of Reaction Mechanisms: What Does the Mercury Test Mean for Catalysis? ACS Catalysis 9(4) (2019) 2984
Space group: P 1 21/n 1
Cell volume: 2574.9
Cell parameters: 10.648; 20.021; 12.134; 90; 95.49; 90;  

COD ID: 4514733
CIF file Formula: - C102.56 H52 F2 O34 Zr6 -
Comments: Liu, Jian; Li, Zhanyong; Zhang, Xuan; Otake, Ken-ichi; Zhang, Lin; Peters, Aaron W.; Young, Matthias J.; Bedford, Nicholas M.; Letourneau, Steven P.; Mandia, David J.; Elam, Jeffrey W.; Farha, Omar K.; Hupp, Joseph T. Introducing Nonstructural Ligands to Zirconia-like Metal‒Organic Framework Nodes To Tune the Activity of Node-Supported Nickel Catalysts for Ethylene Hydrogenation ACS Catalysis 9(4) (2019) 3198
Space group: P 6/m m m
Cell volume: 22122
Cell parameters: 39.446; 39.446; 16.4166; 90; 90; 120;  

COD ID: 4514734
CIF file Formula: - C51 H53 Ni P2 -
Comments: Charboneau, David J.; Brudvig, Gary W.; Hazari, Nilay; Lant, Hannah M. C.; Saydjari, Andrew K. Development of an Improved System for the Carboxylation of Aryl Halides through Mechanistic Studies. ACS catalysis 9(4) (2019) 3228-3241
Space group: P 1 2/c 1
Cell volume: 4042.6
Cell parameters: 22.883; 9.2579; 21.1481; 90; 115.533; 90;  

COD ID: 4514735
CIF file Formula: - C17 H14 Cl N O4 -
Comments: Dai, Yuanwei; Tian, Baotong; Chen, Huan; Zhang, Qiang Palladium-Catalyzed Stereospecific C-Glycosylation of Glycals with Vinylogous Acceptors ACS Catalysis 9(4) (2019) 2909
Space group: P 21 21 21
Cell volume: 1533.1
Cell parameters: 7.7672; 8.6398; 22.845; 90; 90; 90;  

COD ID: 4514736
CIF file Formula: - C22 H37 N3 O4 Si -
Comments: Zhan, Bei-Bei; Fan, Jun; Jin, Liang; Shi, Bing-Feng Divergent Synthesis of Silicon-Containing Peptides via Pd-Catalyzed Post-Assembly γ-C(sp3)‒H Silylation ACS Catalysis 9(4) (2019) 3298
Space group: P 1 21 1
Cell volume: 1296.76
Cell parameters: 9.1154; 9.7854; 14.6304; 90; 96.443; 90;  

COD ID: 4514737
CIF file Formula: - C89 H64 Al B2 F36 N O6 P4 Rh2 -
Comments: Adams, Gemma M.; Ryan, David E.; Beattie, Nicholas A.; McKay, Alasdair I.; Lloyd-Jones, Guy C; Weller, Andrew S. Dehydropolymerization of H<sub>3</sub>B·NMeH<sub>2</sub> Using a [Rh(DPEphos)]<sup>+</sup> Catalyst: The Promoting Effect of NMeH<sub>2</sub>. ACS catalysis 9(4) (2019) 3657-3666
Space group: P -1
Cell volume: 5062.15
Cell parameters: 14.5138; 18.5644; 21.462; 104.385; 102.683; 107.545;  

COD ID: 4514738
CIF file Formula: - C27 H36 Cl F Ni P2 -
Comments: Russell, John E. A.; Entz, Emily D.; Joyce, Ian M.; Neufeldt, Sharon R. Nickel-Catalyzed Stille Cross Coupling of C-O Electrophiles. ACS catalysis 9(4) (2019) 3304-3310
Space group: P 1 21/n 1
Cell volume: 2676.1
Cell parameters: 11.8371; 14.1571; 16.2044; 90; 99.776; 90;  

COD ID: 4514739
CIF file Formula: - C29 H42 F N Ni O3 P2 S -
Comments: Russell, John E. A.; Entz, Emily D.; Joyce, Ian M.; Neufeldt, Sharon R. Nickel-Catalyzed Stille Cross Coupling of C-O Electrophiles. ACS catalysis 9(4) (2019) 3304-3310
Space group: P 1 21/m 1
Cell volume: 1537.78
Cell parameters: 8.6752; 12.5702; 14.4059; 90; 101.795; 90;  

COD ID: 4514740
CIF file Formula: - C32 H58 Co I N4 P2 Zr -
Comments: Gramigna, Kathryn M.; Dickie, Diane A.; Foxman, Bruce M.; Thomas, Christine M. Cooperative H2 Activation across a Metal‒Metal Multiple Bond and Hydrogenation Reactions Catalyzed by a Zr/Co Heterobimetallic Complex ACS Catalysis 9(4) (2019) 3153
Space group: P n m a
Cell volume: 3724.2
Cell parameters: 15.4307; 22.1735; 10.8845; 90; 90; 90;  

COD ID: 4514741
CIF file Formula: - C56 H92 Co2 I6 N4 P4 Zr2 -
Comments: Gramigna, Kathryn M.; Dickie, Diane A.; Foxman, Bruce M.; Thomas, Christine M. Cooperative H2 Activation across a Metal‒Metal Multiple Bond and Hydrogenation Reactions Catalyzed by a Zr/Co Heterobimetallic Complex ACS Catalysis 9(4) (2019) 3153
Space group: P -1
Cell volume: 1787.87
Cell parameters: 11.4073; 12.4796; 14.109; 100.063; 97.493; 112.211;  

COD ID: 4514742
CIF file Formula: - C45 H67 Co I N2 O P3 Zr -
Comments: Gramigna, Kathryn M.; Dickie, Diane A.; Foxman, Bruce M.; Thomas, Christine M. Cooperative H2 Activation across a Metal‒Metal Multiple Bond and Hydrogenation Reactions Catalyzed by a Zr/Co Heterobimetallic Complex ACS Catalysis 9(4) (2019) 3153
Space group: P -1
Cell volume: 2349.34
Cell parameters: 9.9663; 10.4166; 23.1907; 81.58; 83.529; 82.278;  

COD ID: 4514743
CIF file Formula: - C35 H65 Co I N2 O P3 Zr -
Comments: Gramigna, Kathryn M.; Dickie, Diane A.; Foxman, Bruce M.; Thomas, Christine M. Cooperative H2 Activation across a Metal‒Metal Multiple Bond and Hydrogenation Reactions Catalyzed by a Zr/Co Heterobimetallic Complex ACS Catalysis 9(4) (2019) 3153
Space group: C 1 2/c 1
Cell volume: 8326.7
Cell parameters: 38.6599; 12.0858; 18.3535; 90; 103.833; 90;  

COD ID: 4514744
CIF file Formula: - C45 H69 Co I N2 O P3 Zr -
Comments: Gramigna, Kathryn M.; Dickie, Diane A.; Foxman, Bruce M.; Thomas, Christine M. Cooperative H2 Activation across a Metal‒Metal Multiple Bond and Hydrogenation Reactions Catalyzed by a Zr/Co Heterobimetallic Complex ACS Catalysis 9(4) (2019) 3153
Space group: P -1
Cell volume: 2432.1
Cell parameters: 12.2182; 13.374; 16.9003; 70.756; 71.3; 74.862;  

COD ID: 4514745
CIF file Formula: - C46 H64 Co I N2 O P2 Zr -
Comments: Gramigna, Kathryn M.; Dickie, Diane A.; Foxman, Bruce M.; Thomas, Christine M. Cooperative H2 Activation across a Metal‒Metal Multiple Bond and Hydrogenation Reactions Catalyzed by a Zr/Co Heterobimetallic Complex ACS Catalysis 9(4) (2019) 3153
Space group: P -1
Cell volume: 2345.95
Cell parameters: 10.7474; 11.7734; 20.3607; 77.69; 79.557; 69.802;  

COD ID: 4514746
CIF file Formula: - C31 H38 B N3 O4 -
Comments: Liu, Zhen; Li, Xiaohan; Zeng, Tian; Engle, Keary M. Directed, Palladium(II)-Catalyzed Enantioselective anti-Carboboration of Alkenyl Carbonyl Compounds ACS Catalysis 9(4) (2019) 3260
Space group: P 1 21 1
Cell volume: 1420.04
Cell parameters: 6.5323; 24.418; 9.191; 90; 104.387; 90;  

COD ID: 4514747
CIF file Formula: - C17 H18 N2 O3 Pd -
Comments: Liu, Zhen; Li, Xiaohan; Zeng, Tian; Engle, Keary M. Directed, Palladium(II)-Catalyzed Enantioselective anti-Carboboration of Alkenyl Carbonyl Compounds ACS Catalysis 9(4) (2019) 3260
Space group: P 1 21/n 1
Cell volume: 1595.59
Cell parameters: 8.6104; 10.5955; 17.71; 90; 99.051; 90;  

COD ID: 4514748
CIF file Formula: - C30 H36 B N3 O3 -
Comments: Liu, Zhen; Li, Xiaohan; Zeng, Tian; Engle, Keary M. Directed, Palladium(II)-Catalyzed Enantioselective anti-Carboboration of Alkenyl Carbonyl Compounds ACS Catalysis 9(4) (2019) 3260
Space group: P 1 21 1
Cell volume: 1333.12
Cell parameters: 6.3743; 23.6017; 9.0486; 90; 101.68; 90;  

COD ID: 4514749
CIF file Formula: - C44 H40 N6 O10 Zn2 -
Comments: Markad, Datta; Mandal, Sanjay K. Design of a Primary-Amide-Functionalized Highly Efficient and Recyclable Hydrogen-Bond-Donating Heterogeneous Catalyst for the Friedel‒Crafts Alkylation of Indoles with β-Nitrostyrenes ACS Catalysis 9(4) (2019) 3165
Space group: P -1
Cell volume: 1370.2
Cell parameters: 8.7707; 11.7137; 13.5892; 82.784; 81.615; 88.403;  

COD ID: 4514750
CIF file Formula: - C42 H33 Cl F2 Ni P2 -
Comments: Stadler, Sonja M.; Göttker-Schnetmann, Inigo; Mecking, Stefan Incorporation of Radicals during Ni(II)-Catalyzed Ethylene Insertion Polymerization ACS Catalysis 9(4) (2019) 2760
Space group: C 1 2/c 1
Cell volume: 7012
Cell parameters: 30.115; 11.645; 20.4586; 90; 102.223; 90;  

COD ID: 4514751
CIF file Formula: - C51 H58 F2 N Ni O2 P -
Comments: Stadler, Sonja M.; Göttker-Schnetmann, Inigo; Mecking, Stefan Incorporation of Radicals during Ni(II)-Catalyzed Ethylene Insertion Polymerization ACS Catalysis 9(4) (2019) 2760
Space group: P b c a
Cell volume: 9022.8
Cell parameters: 16.868; 20.0011; 26.7439; 90; 90; 90;  

COD ID: 4514752
CIF file Formula: - C10 H9 Br O3 -
Comments: Sawano, Takahiro; Yamamoto, Hisashi Enantioselective Epoxidation of β,γ-Unsaturated Carboxylic Acids by a Cooperative Binuclear Titanium Complex ACS Catalysis 9(4) (2019) 3384
Space group: P 1 21 1
Cell volume: 485
Cell parameters: 4.7773; 16.685; 6.289; 90; 104.66; 90;  

COD ID: 4514753
CIF file Formula: - C22 H19 Br N2 O2 -
Comments: Yang, Qian-Qian; Yin, Xiang; He, Xiao-Long; Du, Wei; Chen, Ying-Chun Asymmetric Formal [5 + 3] Cycloadditions with Unmodified Morita‒Baylis‒Hillman Alcohols via Double Activation Catalysis ACS Catalysis 9(2) (2019) 1258
Space group: P 21 21 21
Cell volume: 1859.42
Cell parameters: 7.3331; 9.8564; 25.7259; 90; 90; 90;  

COD ID: 4514754
CIF file Formula: - C36 H32 Cl2 N4 O2 -
Comments: Yang, Qian-Qian; Yin, Xiang; He, Xiao-Long; Du, Wei; Chen, Ying-Chun Asymmetric Formal [5 + 3] Cycloadditions with Unmodified Morita‒Baylis‒Hillman Alcohols via Double Activation Catalysis ACS Catalysis 9(2) (2019) 1258
Space group: P 1 21 1
Cell volume: 1544.84
Cell parameters: 11.3963; 10.25731; 13.268; 90; 95.0958; 90;  

COD ID: 4514755
CIF file Formula: - C22 H19 N O3 S -
Comments: Bai, Xing-Feng; Mu, Qiu-Chao; Xu, Zheng; Yang, Ke-Fang; Li, Li; Zheng, Zhan-Jiang; Xia, Chun-Gu; Xu, Li-Wen Catalytic Asymmetric Carbonylation of Prochiral Sulfonamides via C‒H Desymmetrization ACS Catalysis 9(2) (2019) 1431
Space group: P 1 21 1
Cell volume: 1887.2
Cell parameters: 17.546; 6.607; 17.993; 90; 115.207; 90;  

COD ID: 4514756
CIF file Formula: - C25 H24 N O3 S -
Comments: Bai, Xing-Feng; Mu, Qiu-Chao; Xu, Zheng; Yang, Ke-Fang; Li, Li; Zheng, Zhan-Jiang; Xia, Chun-Gu; Xu, Li-Wen Catalytic Asymmetric Carbonylation of Prochiral Sulfonamides via C‒H Desymmetrization ACS Catalysis 9(2) (2019) 1431
Space group: P 21 21 21
Cell volume: 2203
Cell parameters: 9.162; 10.694; 22.484; 90; 90; 90;  

COD ID: 4514757
CIF file Formula: - C29 H21 N O3 S -
Comments: Bai, Xing-Feng; Mu, Qiu-Chao; Xu, Zheng; Yang, Ke-Fang; Li, Li; Zheng, Zhan-Jiang; Xia, Chun-Gu; Xu, Li-Wen Catalytic Asymmetric Carbonylation of Prochiral Sulfonamides via C‒H Desymmetrization ACS Catalysis 9(2) (2019) 1431
Space group: P 21 21 21
Cell volume: 2223.8
Cell parameters: 6.556; 13.237; 25.625; 90; 90; 90;  

COD ID: 4514758
CIF file Formula: - C23 H21 N O5 S -
Comments: Bai, Xing-Feng; Mu, Qiu-Chao; Xu, Zheng; Yang, Ke-Fang; Li, Li; Zheng, Zhan-Jiang; Xia, Chun-Gu; Xu, Li-Wen Catalytic Asymmetric Carbonylation of Prochiral Sulfonamides via C‒H Desymmetrization ACS Catalysis 9(2) (2019) 1431
Space group: P 21 21 21
Cell volume: 2080.9
Cell parameters: 8.9405; 10.0639; 23.127; 90; 90; 90;  

COD ID: 4514759
CIF file Formula: - C18 H16 Br2 O2 -
Comments: Trost, Barry M.; Tracy, Jacob S. Vanadium-Catalyzed Synthesis of Geometrically Defined Acyclic Tri- and Tetrasubstituted Olefins from Propargyl Alcohols ACS Catalysis 9(2) (2019) 1584
Space group: P -3
Cell volume: 5032.8
Cell parameters: 24.679; 24.679; 9.5417; 90; 90; 120;  

COD ID: 4514760
CIF file Formula: - C12.5 H16 Cl2 Co N1.5 O -
Comments: Wen, Huanan; Wang, Kuan; Zhang, Yanlu; Liu, Guixia; Huang, Zheng Cobalt-Catalyzed Regio- and Enantioselective Markovnikov 1,2-Hydrosilylation of Conjugated Dienes ACS Catalysis 9(2) (2019) 1612
Space group: P 1
Cell volume: 717.08
Cell parameters: 8.5586; 8.9303; 9.6822; 76.723; 86.703; 85.126;  

COD ID: 4514761
CIF file Formula: - C16 H18 Cl2 Co N2 O -
Comments: Wen, Huanan; Wang, Kuan; Zhang, Yanlu; Liu, Guixia; Huang, Zheng Cobalt-Catalyzed Regio- and Enantioselective Markovnikov 1,2-Hydrosilylation of Conjugated Dienes ACS Catalysis 9(2) (2019) 1612
Space group: P 1 21 1
Cell volume: 1689.48
Cell parameters: 9.7507; 13.413; 12.9181; 90; 90.316; 90;  

COD ID: 4514762
CIF file Formula: - C29.48 H29.66 Cl1.27 N O3 -
Comments: Trost, Barry M.; Hung, Chao-I Joey; Gnanamani, Elumalai Tuning the Reactivity of Ketones through Unsaturation: Construction of Cyclic and Acyclic Quaternary Stereocenters via Zn-ProPhenol Catalyzed Mannich Reactions ACS Catalysis 9(2) (2019) 1549
Space group: C 1 2 1
Cell volume: 2483.29
Cell parameters: 25.1281; 6.268; 15.987; 90; 99.524; 90;  

COD ID: 4514763
CIF file Formula: - C22 H19 O P -
Comments: Lu, Zhiwu; Zhang, Haoyang; Yang, Zhiping; Ding, Ning; Meng, Ling; Wang, Jun Asymmetric Hydrophosphination of Heterobicyclic Alkenes: Facile Access to Phosphine Ligands for Asymmetric Catalysis ACS Catalysis 9(2) (2019) 1457
Space group: P 1 21 1
Cell volume: 1734.23
Cell parameters: 15.7797; 6.4246; 18.8309; 90; 114.711; 90;  

COD ID: 4514764
CIF file Formula: - C27 H26 F2 N O2 P -
Comments: Lu, Zhiwu; Zhang, Haoyang; Yang, Zhiping; Ding, Ning; Meng, Ling; Wang, Jun Asymmetric Hydrophosphination of Heterobicyclic Alkenes: Facile Access to Phosphine Ligands for Asymmetric Catalysis ACS Catalysis 9(2) (2019) 1457
Space group: P 1 21 1
Cell volume: 2391.6
Cell parameters: 10.6041; 11.5598; 19.577; 90; 94.744; 90;  

COD ID: 4514765
CIF file Formula: - C24 H21 O3 P -
Comments: Lu, Zhiwu; Zhang, Haoyang; Yang, Zhiping; Ding, Ning; Meng, Ling; Wang, Jun Asymmetric Hydrophosphination of Heterobicyclic Alkenes: Facile Access to Phosphine Ligands for Asymmetric Catalysis ACS Catalysis 9(2) (2019) 1457
Space group: P 21 21 21
Cell volume: 1923.9
Cell parameters: 9.561; 9.713; 20.717; 90; 90; 90;  

COD ID: 4514766
CIF file Formula: - C20 H27 N O6 -
Comments: Sim, Jaehoon; Campbell, Mark W.; Molander, Gary A. Synthesis of α-Fluoro-α-Amino Acid Derivatives via Photoredox-Catalyzed Carbofluorination. ACS catalysis 9(2) (2019) 1558-1563
Space group: P 1 21 1
Cell volume: 1026
Cell parameters: 6.03; 19.3547; 9.0029; 90; 102.453; 90;  

COD ID: 4514767
CIF file Formula: - C15 H16 O2 -
Comments: Zheng, Pengfei; Wang, Chengpeng; Chen, Ying-Chun; Dong, Guangbin Pd-Catalyzed Intramolecular α-Allylic Alkylation of Ketones with Alkynes: Rapid and Stereodivergent Construction of [3.2.1] Bicycles ACS Catalysis 9(6) (2019) 5515
Space group: P 21 21 21
Cell volume: 1156.5
Cell parameters: 5.6039; 10.7509; 19.196; 90; 90; 90;  

COD ID: 4514768
CIF file Formula: - C35 H51 F6 N3 O5 S2 Zn -
Comments: Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J. Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane ACS Catalysis 9(6) (2019) 5760
Space group: P 21 21 21
Cell volume: 4009.34
Cell parameters: 13.6599; 14.2563; 20.5882; 90; 90; 90;  

COD ID: 4514769
CIF file Formula: - C37 H47 F6 N3 O4 S2 Zn -
Comments: Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J. Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane ACS Catalysis 9(6) (2019) 5760
Space group: P 1 21/c 1
Cell volume: 7873.2
Cell parameters: 19.3499; 20.6938; 20.4521; 90; 105.975; 90;  

COD ID: 4514770
CIF file Formula: - C26.67 H32.67 Cl2 F4 N2 O2.67 S1.33 Zn0.67 -
Comments: Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J. Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane ACS Catalysis 9(6) (2019) 5760
Space group: P -1
Cell volume: 2273.4
Cell parameters: 10.0474; 16.5268; 16.5479; 117.002; 106.69; 94.539;  

COD ID: 4514771
CIF file Formula: - C47 H56 N2 Zn -
Comments: Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J. Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane ACS Catalysis 9(6) (2019) 5760
Space group: P 1 21/c 1
Cell volume: 8837.2
Cell parameters: 19.3717; 16.9243; 27.5305; 90; 101.738; 90;  

COD ID: 4514772
CIF file Formula: - C35 H54 Cl2 N2 O1.5 Zn -
Comments: Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J. Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane ACS Catalysis 9(6) (2019) 5760
Space group: P 1 21/c 1
Cell volume: 3533.1
Cell parameters: 12.9149; 19.5194; 19.2829; 90; 133.379; 90;  

COD ID: 4514773
CIF file Formula: - C41 H52 N2 Zn -
Comments: Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J. Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane ACS Catalysis 9(6) (2019) 5760
Space group: P 1 21/c 1
Cell volume: 3511.5
Cell parameters: 20.3293; 9.7719; 18.4536; 90; 106.688; 90;  

COD ID: 4514774
CIF file Formula: - C43 H57 F6 N3 O6 S2 Zn -
Comments: Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J. Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane ACS Catalysis 9(6) (2019) 5760
Space group: P -1
Cell volume: 2299.96
Cell parameters: 11.9544; 13.4764; 15.7416; 95.505; 100.925; 110.249;  

COD ID: 4514775
CIF file Formula: - C19 H18 O2 -
Comments: Yang, Junfeng; Sekiguchi, Yoshiya; Yoshikai, Naohiko Cobalt-Catalyzed Enantioselective and Chemodivergent Addition of Cyclopropanols to Oxabicyclic Alkenes ACS Catalysis 9(6) (2019) 5638
Space group: P 21 21 21
Cell volume: 2915.39
Cell parameters: 9.663; 9.7186; 31.0442; 90; 90; 90;  

COD ID: 4514776
CIF file Formula: - C27 H25 O3 P S -
Comments: Zhang, Yu; Zhang, Fengcai; Chen, Long; Xu, Jian; Liu, Xiaohua; Feng, Xiaoming Asymmetric Synthesis of P-Stereogenic Compounds via Thulium(III)-Catalyzed Desymmetrization of Dialkynylphosphine Oxides ACS Catalysis 9(6) (2019) 4834
Space group: P 21 21 2
Cell volume: 4858.7
Cell parameters: 13.6131; 35.785; 9.9738; 90; 90; 90;  

COD ID: 4514777
CIF file Formula: - C46 H72 Dy F9 N4 O17 S3 -
Comments: Zhang, Yu; Zhang, Fengcai; Chen, Long; Xu, Jian; Liu, Xiaohua; Feng, Xiaoming Asymmetric Synthesis of P-Stereogenic Compounds via Thulium(III)-Catalyzed Desymmetrization of Dialkynylphosphine Oxides ACS Catalysis 9(6) (2019) 4834
Space group: P 1 21 1
Cell volume: 3079.1
Cell parameters: 12.1386; 16.1932; 15.8018; 90; 97.546; 90;  

COD ID: 4514778
CIF file Formula: - C51 H84 F9 N4 O18 Pr S3 -
Comments: Zhang, Yu; Zhang, Fengcai; Chen, Long; Xu, Jian; Liu, Xiaohua; Feng, Xiaoming Asymmetric Synthesis of P-Stereogenic Compounds via Thulium(III)-Catalyzed Desymmetrization of Dialkynylphosphine Oxides ACS Catalysis 9(6) (2019) 4834
Space group: P 1 21 1
Cell volume: 3242.2
Cell parameters: 12.1823; 16.5445; 16.408; 90; 101.368; 90;  

COD ID: 4514779
CIF file Formula: - C53 H82 F9 N4 O15 S3 Tm -
Comments: Zhang, Yu; Zhang, Fengcai; Chen, Long; Xu, Jian; Liu, Xiaohua; Feng, Xiaoming Asymmetric Synthesis of P-Stereogenic Compounds via Thulium(III)-Catalyzed Desymmetrization of Dialkynylphosphine Oxides ACS Catalysis 9(6) (2019) 4834
Space group: P 21 21 21
Cell volume: 6654
Cell parameters: 15.6161; 19.6361; 21.6999; 90; 90; 90;  

COD ID: 4514780
CIF file Formula: - C44 H40 O P2 -
Comments: Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor Catalytic Asymmetric C‒H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines ACS Catalysis 9(6) (2019) 5268
Space group: P 21 21 21
Cell volume: 3398.92
Cell parameters: 9.9449; 17.1268; 19.9556; 90; 90; 90;  

COD ID: 4514781
CIF file Formula: - C17 H11 Cr F O5 -
Comments: Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor Catalytic Asymmetric C‒H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines ACS Catalysis 9(6) (2019) 5268
Space group: P 1
Cell volume: 757.81
Cell parameters: 7.0791; 7.2172; 16.4881; 85.775; 87.502; 64.437;  

COD ID: 4514782
CIF file Formula: - C43 H32 Cl2 N4 O -
Comments: Takamatsu, Kazutaka; Hayashi, Yoshihiro; Kawauchi, Susumu; Hirano, Koji; Miura, Masahiro Copper-Catalyzed Regioselective C‒H Amination of Phenol Derivatives with Assistance of Phenanthroline-Based Bidentate Auxiliary ACS Catalysis 9(6) (2019) 5336
Space group: P -1
Cell volume: 1769.4
Cell parameters: 11.209; 13.582; 13.728; 60.753; 79.38; 76.89;  

COD ID: 4514783
CIF file Formula: - C31 H31 N O2 S -
Comments: Li, Man-Bo; Grape, Erik Svensson; Bäckvall, Jan-E. Palladium-Catalyzed Stereospecific Oxidative Cascade Reaction of Allenes for the Construction of Pyrrole Rings: Control of Reactivity and Selectivity ACS Catalysis 9(6) (2019) 5184
Space group: P -1
Cell volume: 1370.77
Cell parameters: 10.628; 11.4207; 12.9524; 65.936; 85.626; 72.954;  

COD ID: 4514784
CIF file Formula: - C28 H27 N O2 S -
Comments: Li, Man-Bo; Grape, Erik Svensson; Bäckvall, Jan-E. Palladium-Catalyzed Stereospecific Oxidative Cascade Reaction of Allenes for the Construction of Pyrrole Rings: Control of Reactivity and Selectivity ACS Catalysis 9(6) (2019) 5184
Space group: P 1 21/c 1
Cell volume: 2428.79
Cell parameters: 14.0088; 9.652; 19.0811; 90; 109.714; 90;  

COD ID: 4514785
CIF file Formula: - C15 H17 N O4 -
Comments: Wu, Wenli; Cui, Enxin; Zhang, Yun; Zhang, Chen; Zhu, Feng; Tung, Chen-Ho; Wang, Yifeng Involving Single-Atom Silver(0) in Selective Dehalogenation by AgF under Visible-Light Irradiation ACS Catalysis 9(7) (2019) 6335
Space group: P n a 21
Cell volume: 1391.94
Cell parameters: 9.7201; 26.2838; 5.4483; 90; 90; 90;  

COD ID: 4514786
CIF file Formula: - C16 H12 N2 -
Comments: Wu, Wenli; Cui, Enxin; Zhang, Yun; Zhang, Chen; Zhu, Feng; Tung, Chen-Ho; Wang, Yifeng Involving Single-Atom Silver(0) in Selective Dehalogenation by AgF under Visible-Light Irradiation ACS Catalysis 9(7) (2019) 6335
Space group: P n a 21
Cell volume: 1200.91
Cell parameters: 7.5559; 13.9087; 11.4271; 90; 90; 90;  

COD ID: 4514787
CIF file Formula: - C8 H6 N -
Comments: Wu, Wenli; Cui, Enxin; Zhang, Yun; Zhang, Chen; Zhu, Feng; Tung, Chen-Ho; Wang, Yifeng Involving Single-Atom Silver(0) in Selective Dehalogenation by AgF under Visible-Light Irradiation ACS Catalysis 9(7) (2019) 6335
Space group: P 1 21/n 1
Cell volume: 613.78
Cell parameters: 7.8048; 5.9454; 13.2408; 90; 92.593; 90;  

COD ID: 4514788
CIF file Formula: - C11 H11 F3 O2 -
Comments: Kerdphon, Sutthichat; Ponra, Sudipta; Yang, Jianping; Wu, Haibo; Eriksson, Lars; Andersson, Pher G. Diastereo- and Enantioselective Synthesis of Structurally Diverse Succinate, Butyrolactone, and Trifluoromethyl Derivatives by Iridium-Catalyzed Hydrogenation of Tetrasubstituted Olefins ACS Catalysis 9(7) (2019) 6169
Space group: P 41 21 2
Cell volume: 2189.41
Cell parameters: 7.262; 7.262; 41.516; 90; 90; 90;  

COD ID: 4514789
CIF file Formula: - C18 H15 N O2 -
Comments: Li, Yi-Pan; Li, Zi-Qi; Zhou, Biying; Li, Mao-Lin; Xue, Xiao-Song; Zhu, Shou-Fei; Zhou, Qi-Lin Chiral Spiro Phosphoric Acid-Catalyzed Friedel‒Crafts Conjugate Addition/Enantioselective Protonation Reactions ACS Catalysis 9(7) (2019) 6522
Space group: P 21 21 21
Cell volume: 2938.17
Cell parameters: 8.98144; 9.10592; 35.9259; 90; 90; 90;  

COD ID: 4514790
CIF file Formula: - C19 H17 N O -
Comments: Li, Yi-Pan; Li, Zi-Qi; Zhou, Biying; Li, Mao-Lin; Xue, Xiao-Song; Zhu, Shou-Fei; Zhou, Qi-Lin Chiral Spiro Phosphoric Acid-Catalyzed Friedel‒Crafts Conjugate Addition/Enantioselective Protonation Reactions ACS Catalysis 9(7) (2019) 6522
Space group: P 1 21 1
Cell volume: 731.872
Cell parameters: 9.3678; 6.9408; 11.2829; 90; 93.95; 90;  

COD ID: 4514791
CIF file Formula: - C25 H22 I O P -
Comments: Zhang, Lumin; Si, Xiaojia; Yang, Yangyang; Witzel, Sina; Sekine, Kohei; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K. Reductive C‒C Coupling by Desulfurizing Gold-Catalyzed Photoreactions ACS Catalysis 9(7) (2019) 6118
Space group: P n a 21
Cell volume: 4343.92
Cell parameters: 14.0443; 8.9519; 34.5515; 90; 90; 90;  

COD ID: 4514792
CIF file Formula: - C40 H48 B2 Fe N12 -
Comments: Isbill, Sara B.; Chandrachud, Preeti P.; Kern, Jesse L.; Jenkins, David M.; Roy, Sharani Elucidation of the Reaction Mechanism of C<sub>2</sub> + N<sub>1</sub> Aziridination from Tetracarbene Iron Catalysts. ACS catalysis 9(7) (2019) 6223-6233
Space group: C 1 2/c 1
Cell volume: 8223.2
Cell parameters: 20.1074; 16.9145; 25.426; 90; 108.024; 90;  

COD ID: 4514793
CIF file Formula: - C24 H31 Cl Ir N O -
Comments: Chen, Shuyou; Zhang, Min; Su, Rongchuan; Chen, Xingyu; Feng, Boya; Yang, Yudong; You, Jingsong C2/C4 Regioselective Heteroarylation of Indoles by Tuning C‒H Metalation Modes ACS Catalysis 9(7) (2019) 6372
Space group: P 1 21/n 1
Cell volume: 2310.68
Cell parameters: 8.81332; 15.7101; 17.1127; 90; 102.781; 90;  

COD ID: 4514794
CIF file Formula: - C32 H36 Ir N O2 -
Comments: Chen, Shuyou; Zhang, Min; Su, Rongchuan; Chen, Xingyu; Feng, Boya; Yang, Yudong; You, Jingsong C2/C4 Regioselective Heteroarylation of Indoles by Tuning C‒H Metalation Modes ACS Catalysis 9(7) (2019) 6372
Space group: P -1
Cell volume: 2802.44
Cell parameters: 11.5179; 13.5428; 18.483; 76.588; 87.879; 89.094;  

COD ID: 4514795
CIF file Formula: - C19 H21 N O S -
Comments: Chen, Shuyou; Zhang, Min; Su, Rongchuan; Chen, Xingyu; Feng, Boya; Yang, Yudong; You, Jingsong C2/C4 Regioselective Heteroarylation of Indoles by Tuning C‒H Metalation Modes ACS Catalysis 9(7) (2019) 6372
Space group: P b c a
Cell volume: 3470.87
Cell parameters: 10.7285; 17.9511; 18.0222; 90; 90; 90;  

COD ID: 4514796
CIF file Formula: - C22 H21 N O2 -
Comments: Chen, Shuyou; Zhang, Min; Su, Rongchuan; Chen, Xingyu; Feng, Boya; Yang, Yudong; You, Jingsong C2/C4 Regioselective Heteroarylation of Indoles by Tuning C‒H Metalation Modes ACS Catalysis 9(7) (2019) 6372
Space group: P 21 21 21
Cell volume: 1799.71
Cell parameters: 7.1896; 13.9891; 17.894; 90; 90; 90;  

COD ID: 4514797
CIF file Formula: - C22 H23 N O -
Comments: Sahani, Rajkumar Lalji; Liu, Rai-Shung Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring ACS Catalysis 9(7) (2019) 5890
Space group: P 43
Cell volume: 1715.58
Cell parameters: 10.6545; 10.6545; 15.1128; 90; 90; 90;  

COD ID: 4514798
CIF file Formula: - C20 H19 N O -
Comments: Sahani, Rajkumar Lalji; Liu, Rai-Shung Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring ACS Catalysis 9(7) (2019) 5890
Space group: P 21 21 21
Cell volume: 1587.42
Cell parameters: 5.6073; 16.7309; 16.9207; 90; 90; 90;  

COD ID: 4514799
CIF file Formula: - C24 H22 N2 O -
Comments: Sahani, Rajkumar Lalji; Liu, Rai-Shung Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring ACS Catalysis 9(7) (2019) 5890
Space group: P b c a
Cell volume: 3714.6
Cell parameters: 10.4266; 18.053; 19.734; 90; 90; 90;  

COD ID: 4514800
CIF file Formula: - C26 H24 N2 O -
Comments: Sahani, Rajkumar Lalji; Liu, Rai-Shung Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring ACS Catalysis 9(7) (2019) 5890
Space group: P 1 21 1
Cell volume: 1011.48
Cell parameters: 8.7098; 8.9173; 13.0467; 90; 93.444; 90;  

COD ID: 4514801
CIF file Formula: - C18 H19 N O2 -
Comments: Sahani, Rajkumar Lalji; Liu, Rai-Shung Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring ACS Catalysis 9(7) (2019) 5890
Space group: P -1
Cell volume: 1537
Cell parameters: 9.859; 10.008; 15.838; 93.054; 90.75; 99.872;  

COD ID: 4514802
CIF file Formula: - C30 H36 B N3 O3 -
Comments: Bai, Zibo; Zheng, Sujuan; Bai, Ziqian; Song, Fangfang; Wang, Hao; Peng, Qian; Chen, Gong; He, Gang Palladium-Catalyzed Amide-Directed Enantioselective Carboboration of Unactivated Alkenes Using a Chiral Monodentate Oxazoline Ligand ACS Catalysis 9(7) (2019) 6502
Space group: P 1 21 1
Cell volume: 1390.93
Cell parameters: 6.5399; 23.9124; 9.103; 90; 102.293; 90;  

COD ID: 4514803
CIF file Formula: - C30 H36 B N3 O3 -
Comments: Bai, Zibo; Zheng, Sujuan; Bai, Ziqian; Song, Fangfang; Wang, Hao; Peng, Qian; Chen, Gong; He, Gang Palladium-Catalyzed Amide-Directed Enantioselective Carboboration of Unactivated Alkenes Using a Chiral Monodentate Oxazoline Ligand ACS Catalysis 9(7) (2019) 6502
Space group: P 41 21 2
Cell volume: 5627.58
Cell parameters: 9.0322; 9.0322; 68.9818; 90; 90; 90;  

COD ID: 4514804
CIF file Formula: - C34 H36 O S2 -
Comments: Yang, Shiping; Cheng, Rui; Zhang, Min; Bin, Zhengyang; You, Jingsong Rh/Ag-Mediated Peri-Selective Heteroarylation/Single Electron Transfer Annulation Cascade of 1-(Methylthio)naphthalenes and Analogues: Road Less Traveled to Benzo[de]thioacenes ACS Catalysis 9(7) (2019) 6188
Space group: P 1 21/c 1
Cell volume: 2900.59
Cell parameters: 12.8072; 13.6963; 17.6483; 90; 110.451; 90;  

COD ID: 4514805
CIF file Formula: - C19 H14 S2 -
Comments: Yang, Shiping; Cheng, Rui; Zhang, Min; Bin, Zhengyang; You, Jingsong Rh/Ag-Mediated Peri-Selective Heteroarylation/Single Electron Transfer Annulation Cascade of 1-(Methylthio)naphthalenes and Analogues: Road Less Traveled to Benzo[de]thioacenes ACS Catalysis 9(7) (2019) 6188
Space group: P -1
Cell volume: 771.51
Cell parameters: 7.9503; 8.3038; 12.6012; 78.352; 79.15; 72.944;  

COD ID: 4514806
CIF file Formula: - C19 H14 O S2 -
Comments: Yang, Shiping; Cheng, Rui; Zhang, Min; Bin, Zhengyang; You, Jingsong Rh/Ag-Mediated Peri-Selective Heteroarylation/Single Electron Transfer Annulation Cascade of 1-(Methylthio)naphthalenes and Analogues: Road Less Traveled to Benzo[de]thioacenes ACS Catalysis 9(7) (2019) 6188
Space group: C 1 2/c 1
Cell volume: 3182.36
Cell parameters: 16.653; 5.92231; 33.4022; 90; 104.977; 90;  

COD ID: 4514807
CIF file Formula: - C21 H24 Cl Rh S -
Comments: Yang, Shiping; Cheng, Rui; Zhang, Min; Bin, Zhengyang; You, Jingsong Rh/Ag-Mediated Peri-Selective Heteroarylation/Single Electron Transfer Annulation Cascade of 1-(Methylthio)naphthalenes and Analogues: Road Less Traveled to Benzo[de]thioacenes ACS Catalysis 9(7) (2019) 6188
Space group: P 1 21 1
Cell volume: 946.87
Cell parameters: 7.74658; 14.0941; 9.1196; 90; 108.015; 90;  

COD ID: 4514808
CIF file Formula: - C18 H10 S2 -
Comments: Yang, Shiping; Cheng, Rui; Zhang, Min; Bin, Zhengyang; You, Jingsong Rh/Ag-Mediated Peri-Selective Heteroarylation/Single Electron Transfer Annulation Cascade of 1-(Methylthio)naphthalenes and Analogues: Road Less Traveled to Benzo[de]thioacenes ACS Catalysis 9(7) (2019) 6188
Space group: P 1 21/c 1
Cell volume: 1285.35
Cell parameters: 3.95493; 12.7072; 25.5848; 90; 91.496; 90;  

COD ID: 4514809
CIF file Formula: - C42 H78 N6 O Si6 Th -
Comments: Saha, Sayantani; Eisen, Moris S. Catalytic Recycling of a Th‒H Bond via Single or Double Hydroboration of Inactivated Imines or Nitriles ACS Catalysis 9(7) (2019) 5947
Space group: P -1
Cell volume: 2647.3
Cell parameters: 11.208; 13.909; 19.199; 69.17; 83.14; 71.15;  

COD ID: 4514810
CIF file Formula: - C10 H10 F2 O2 -
Comments: Nakayama, Yoshiki; Ando, Gaku; Abe, Manabu; Koike, Takashi; Akita, Munetaka Keto-Difluoromethylation of Aromatic Alkenes by Photoredox Catalysis: Step-Economical Synthesis of α-CF2H-Substituted Ketones in Flow ACS Catalysis 9(7) (2019) 6555
Space group: P 1 21/c 1
Cell volume: 902.6
Cell parameters: 9.946; 9.088; 10.222; 90; 102.351; 90;  

COD ID: 4514811
CIF file Formula: - C15 H18 O2 -
Comments: Luo, Youran; Gutiérrez-Bonet, Álvaro; Matsui, Jennifer K.; Rotella, Madeline E.; Dykstra, Ryan; Gutierrez, Osvaldo; Molander, Gary A. Oxa- and Azabenzonorbornadienes as Electrophilic Partners under Photoredox/Nickel Dual Catalysis ACS Catalysis 9(9) (2019) 8835
Space group: P n a 21
Cell volume: 1203.95
Cell parameters: 25.8841; 7.333; 6.343; 90; 90; 90;  

COD ID: 4514812
CIF file Formula: - C21 H29 N O2 -
Comments: Luo, Youran; Gutiérrez-Bonet, Álvaro; Matsui, Jennifer K.; Rotella, Madeline E.; Dykstra, Ryan; Gutierrez, Osvaldo; Molander, Gary A. Oxa- and Azabenzonorbornadienes as Electrophilic Partners under Photoredox/Nickel Dual Catalysis ACS Catalysis 9(9) (2019) 8835
Space group: P 1 21 1
Cell volume: 1829.1
Cell parameters: 5.5974; 16.9126; 19.3211; 90; 90.056; 90;  

COD ID: 4514813
CIF file Formula: - C93 H84 F3 O31 P4 S Yb2 -
Comments: Luo, Weiwei; Sun, Zhicheng; Fernando, E. H. Nisala; Nesterov, Vladimir N.; Cundari, Thomas R.; Wang, Hong Asymmetric Ring-Opening of Donor‒Acceptor Cyclopropanes with Primary Arylamines Catalyzed by a Chiral Heterobimetallic Catalyst ACS Catalysis 9(9) (2019) 8285
Space group: P 1 21 1
Cell volume: 6794.6
Cell parameters: 17.0655; 17.2352; 23.1949; 90; 95.16; 90;  

COD ID: 4514814
CIF file Formula: - C20 H23 N O5 -
Comments: Luo, Weiwei; Sun, Zhicheng; Fernando, E. H. Nisala; Nesterov, Vladimir N.; Cundari, Thomas R.; Wang, Hong Asymmetric Ring-Opening of Donor‒Acceptor Cyclopropanes with Primary Arylamines Catalyzed by a Chiral Heterobimetallic Catalyst ACS Catalysis 9(9) (2019) 8285
Space group: P 21 21 21
Cell volume: 1804.82
Cell parameters: 5.78428; 12.07053; 25.84988; 90; 90; 90;  

COD ID: 4514815
CIF file Formula: - C25 H9 B F15 N O -
Comments: Meng, Shan-Shui; Tang, Xiaowen; Luo, Xiang; Wu, Ruibo; Zhao, Jun-Ling; Chan, Albert S. C. Borane-Catalyzed Chemoselectivity-Controllable N-Alkylation and ortho C-Alkylation of Unprotected Arylamines Using Benzylic Alcohols ACS Catalysis 9(9) (2019) 8397
Space group: P 1 21/c 1
Cell volume: 2351.52
Cell parameters: 15.7548; 8.5218; 17.5186; 90; 91.195; 90;  

COD ID: 4514816
CIF file Formula: - C44 H55 Au N O2 P -
Comments: Verlee, Arno; Heugebaert, Thomas; van der Meer, Tom; Kerchev, Pavel; Van Hecke, Kristof; Van Breusegem, Frank; Stevens, Christian V. Gold and Palladium Mediated Bimetallic Catalysis: Mechanistic Investigation through the Isolation of the Organogold(I) Intermediates ACS Catalysis 9(9) (2019) 7862
Space group: P -1
Cell volume: 1941.11
Cell parameters: 11.7663; 12.5195; 15.6679; 101.971; 95.869; 117.925;  

COD ID: 4514817
CIF file Formula: - C30 H25 Au N O2 P -
Comments: Verlee, Arno; Heugebaert, Thomas; van der Meer, Tom; Kerchev, Pavel; Van Hecke, Kristof; Van Breusegem, Frank; Stevens, Christian V. Gold and Palladium Mediated Bimetallic Catalysis: Mechanistic Investigation through the Isolation of the Organogold(I) Intermediates ACS Catalysis 9(9) (2019) 7862
Space group: P 1 21/c 1
Cell volume: 2481.34
Cell parameters: 12.35599; 11.5441; 17.5685; 90; 98.0363; 90;  

COD ID: 4514818
CIF file Formula: - C19 H20 O -
Comments: Yu, Zhunzhun; Mendoza, Abraham Enantioselective Assembly of Congested Cyclopropanes using Redox-Active Aryldiazoacetates ACS Catalysis 9(9) (2019) 7870
Space group: P 1 21 1
Cell volume: 722.8
Cell parameters: 8.803; 5.4591; 15.567; 90; 104.94; 90;  

COD ID: 4514819
CIF file Formula: - C24 H16 Br N O4 -
Comments: Yu, Zhunzhun; Mendoza, Abraham Enantioselective Assembly of Congested Cyclopropanes using Redox-Active Aryldiazoacetates ACS Catalysis 9(9) (2019) 7870
Space group: P 1 21 1
Cell volume: 1050.24
Cell parameters: 9.7213; 9.12937; 12.1367; 90; 102.827; 90;  

COD ID: 4514820
CIF file Formula: - C25 H15 N3 O -
Comments: Tian, Cong; Dhawa, Uttam; Scheremetjew, Alexej; Ackermann, Lutz Cupraelectro-Catalyzed Alkyne Annulation: Evidence for Distinct C‒H Alkynylation and Decarboxylative C‒H/C‒C Manifolds ACS Catalysis 9(9) (2019) 7690
Space group: C 1 2/c 1
Cell volume: 3647.3
Cell parameters: 39.582; 6.6842; 13.9095; 90; 97.656; 90;  

COD ID: 4514821
CIF file Formula: - C14 H17 N O2 -
Comments: Pang, Hailiang; Wu, Dong; Cong, Hengjiang; Yin, Guoyin Stereoselective Palladium-Catalyzed 1,3-Arylboration of Unconjugated Dienes for Expedient Synthesis of 1,3-Disubstituted Cyclohexanes ACS Catalysis 9(9) (2019) 8555
Space group: P 1 21/c 1
Cell volume: 1254
Cell parameters: 10.9605; 9.5967; 11.9487; 90; 93.832; 90;  

COD ID: 4514822
CIF file Formula: - C16 H21 N O2 -
Comments: Pang, Hailiang; Wu, Dong; Cong, Hengjiang; Yin, Guoyin Stereoselective Palladium-Catalyzed 1,3-Arylboration of Unconjugated Dienes for Expedient Synthesis of 1,3-Disubstituted Cyclohexanes ACS Catalysis 9(9) (2019) 8555
Space group: P n a 21
Cell volume: 1423.6
Cell parameters: 23.054; 8.4318; 7.3235; 90; 90; 90;  

COD ID: 4514823
CIF file Formula: - C15 H18 O3 -
Comments: Pang, Hailiang; Wu, Dong; Cong, Hengjiang; Yin, Guoyin Stereoselective Palladium-Catalyzed 1,3-Arylboration of Unconjugated Dienes for Expedient Synthesis of 1,3-Disubstituted Cyclohexanes ACS Catalysis 9(9) (2019) 8555
Space group: P 1 21/c 1
Cell volume: 1312.3
Cell parameters: 12.827; 20.383; 5.0473; 90; 96.027; 90;  

COD ID: 4514824
CIF file Formula: - C16 H20 O3 -
Comments: Pang, Hailiang; Wu, Dong; Cong, Hengjiang; Yin, Guoyin Stereoselective Palladium-Catalyzed 1,3-Arylboration of Unconjugated Dienes for Expedient Synthesis of 1,3-Disubstituted Cyclohexanes ACS Catalysis 9(9) (2019) 8555
Space group: C 1 2/c 1
Cell volume: 2825
Cell parameters: 31.2814; 6.1424; 15.8248; 90; 111.709; 90;  

COD ID: 4514825
CIF file Formula: - C19 H28 Cl Cu N3 O4 -
Comments: Hunt, Andrew P.; Batka, Allison E.; Hosseinzadeh, Marjan; Gregory, Jordan D.; Haque, Halima K.; Ren, Hang; Meyerhoff, Mark E.; Lehnert, Nicolai Nitric Oxide Generation On Demand for Biomedical Applications via Electrocatalytic Nitrite Reduction by Copper BMPA- and BEPA-Carboxylate Complexes. ACS catalysis 9(9) (2019) 7746-7758
Space group: P n a 21
Cell volume: 2130.22
Cell parameters: 23.1742; 9.9101; 9.2756; 90; 90; 90;  

COD ID: 4514826
CIF file Formula: - C50 H52 Ir N4 -
Comments: Shon, Jong-Hwa; Sittel, Steven; Teets, Thomas S. Synthesis and Characterization of Strong Cyclometalated Iridium Photoreductants for Application in Photocatalytic Aryl Bromide Hydrodebromination ACS Catalysis 9(9) (2019) 8646
Space group: P 1 21/c 1
Cell volume: 4124.2
Cell parameters: 20.5401; 12.5368; 16.2915; 90; 100.551; 90;  

COD ID: 4514827
CIF file Formula: - C43 H42 Ir N6 -
Comments: Shon, Jong-Hwa; Sittel, Steven; Teets, Thomas S. Synthesis and Characterization of Strong Cyclometalated Iridium Photoreductants for Application in Photocatalytic Aryl Bromide Hydrodebromination ACS Catalysis 9(9) (2019) 8646
Space group: P -1
Cell volume: 1770.8
Cell parameters: 10.1805; 13.1835; 14.4356; 85.2561; 69.5849; 77.2239;  

COD ID: 4514828
CIF file Formula: - C41 H36 Ir N6 -
Comments: Shon, Jong-Hwa; Sittel, Steven; Teets, Thomas S. Synthesis and Characterization of Strong Cyclometalated Iridium Photoreductants for Application in Photocatalytic Aryl Bromide Hydrodebromination ACS Catalysis 9(9) (2019) 8646
Space group: P 1 21/n 1
Cell volume: 7016.3
Cell parameters: 14.476; 14.367; 34.464; 90; 101.797; 90;  

COD ID: 4514829
CIF file Formula: - C39 H45 Ir N4 -
Comments: Shon, Jong-Hwa; Sittel, Steven; Teets, Thomas S. Synthesis and Characterization of Strong Cyclometalated Iridium Photoreductants for Application in Photocatalytic Aryl Bromide Hydrodebromination ACS Catalysis 9(9) (2019) 8646
Space group: P 1 21/c 1
Cell volume: 3315.1
Cell parameters: 11.3918; 14.4386; 20.4434; 90; 99.64; 90;  

COD ID: 4514830
CIF file Formula: - C49 H55 Ir N6 -
Comments: Shon, Jong-Hwa; Sittel, Steven; Teets, Thomas S. Synthesis and Characterization of Strong Cyclometalated Iridium Photoreductants for Application in Photocatalytic Aryl Bromide Hydrodebromination ACS Catalysis 9(9) (2019) 8646
Space group: P 1 21/c 1
Cell volume: 4286
Cell parameters: 17.6455; 12.6291; 20.6034; 90; 111.016; 90;  

COD ID: 4514831
CIF file Formula: - C11 H23 N3 O3 S -
Comments: Duhamel, Thomas; Martínez, Mario D.; Sideri, Ioanna K.; Muñiz, Kilian 1,3-Diamine Formation from an Interrupted Hofmann‒Löffler Reaction: Iodine Catalyst Turnover through Ritter-Type Amination ACS Catalysis 9(9) (2019) 7741
Space group: P 21 21 21
Cell volume: 1403.06
Cell parameters: 8.3707; 11.4502; 14.6387; 90; 90; 90;  

COD ID: 4514832
CIF file Formula: - C12 H18 N2 O2 S -
Comments: Duhamel, Thomas; Martínez, Mario D.; Sideri, Ioanna K.; Muñiz, Kilian 1,3-Diamine Formation from an Interrupted Hofmann‒Löffler Reaction: Iodine Catalyst Turnover through Ritter-Type Amination ACS Catalysis 9(9) (2019) 7741
Space group: P b c a
Cell volume: 2506.41
Cell parameters: 17.0285; 6.9101; 21.3006; 90; 90; 90;  

COD ID: 4514833
CIF file Formula: - C29 H47 N3 O6 S -
Comments: Duhamel, Thomas; Martínez, Mario D.; Sideri, Ioanna K.; Muñiz, Kilian 1,3-Diamine Formation from an Interrupted Hofmann‒Löffler Reaction: Iodine Catalyst Turnover through Ritter-Type Amination ACS Catalysis 9(9) (2019) 7741
Space group: P 1
Cell volume: 1433.94
Cell parameters: 7.0841; 14.1779; 15.2277; 98.32; 100.672; 103.356;  

COD ID: 4514834
CIF file Formula: - C17 H20 N2 O2 S -
Comments: Duhamel, Thomas; Martínez, Mario D.; Sideri, Ioanna K.; Muñiz, Kilian 1,3-Diamine Formation from an Interrupted Hofmann‒Löffler Reaction: Iodine Catalyst Turnover through Ritter-Type Amination ACS Catalysis 9(9) (2019) 7741
Space group: P 1 21/n 1
Cell volume: 1569.8
Cell parameters: 10.2981; 7.0578; 21.651; 90; 94.024; 90;  

COD ID: 4514835
CIF file Formula: - C20 H30 Cl N3 O3 S -
Comments: Lam, Ying-Pong; Wang, Xinyan; Tan, Fei; Ng, Wing-Hin; Tse, Ying-Lung Steve; Yeung, Ying-Yeung Amide/Iminium Zwitterionic Catalysts for (Trans)esterification: Application in Biodiesel Synthesis ACS Catalysis 9(9) (2019) 8083
Space group: P b c a
Cell volume: 4260.3
Cell parameters: 15.2153; 14.9228; 18.7632; 90; 90; 90;  

COD ID: 4514836
CIF file Formula: - C32 H29 N O4 S -
Comments: Zeng, Rong; Li, Jun-Long; Zhang, Xiang; Liu, Yan-Qing; Jia, Zhi-Qiang; Leng, Hai-Jun; Huang, Qian-Wei; Liu, Yue; Li, Qing-Zhu Diastereoselective Construction of 6,8-Dioxabicyclo[3.2.1]octane Frameworks from Vinylethylene Carbonates via Palladium-Organo Relay Catalysis ACS Catalysis 9(9) (2019) 8256
Space group: P 1 21/c 1
Cell volume: 2540.42
Cell parameters: 13.6328; 9.7259; 19.2323; 90; 94.976; 90;  

COD ID: 4514837
CIF file Formula: - C27 H27 N O4 S -
Comments: Zeng, Rong; Li, Jun-Long; Zhang, Xiang; Liu, Yan-Qing; Jia, Zhi-Qiang; Leng, Hai-Jun; Huang, Qian-Wei; Liu, Yue; Li, Qing-Zhu Diastereoselective Construction of 6,8-Dioxabicyclo[3.2.1]octane Frameworks from Vinylethylene Carbonates via Palladium-Organo Relay Catalysis ACS Catalysis 9(9) (2019) 8256
Space group: P 1 21/c 1
Cell volume: 4647.97
Cell parameters: 37.0525; 12.0473; 10.4128; 90; 90.415; 90;  

COD ID: 4514838
CIF file Formula: - C25 H23 N O2 -
Comments: Zeng, Rong; Li, Jun-Long; Zhang, Xiang; Liu, Yan-Qing; Jia, Zhi-Qiang; Leng, Hai-Jun; Huang, Qian-Wei; Liu, Yue; Li, Qing-Zhu Diastereoselective Construction of 6,8-Dioxabicyclo[3.2.1]octane Frameworks from Vinylethylene Carbonates via Palladium-Organo Relay Catalysis ACS Catalysis 9(9) (2019) 8256
Space group: P 1 21/c 1
Cell volume: 1871.12
Cell parameters: 18.0757; 14.6438; 7.2015; 90; 101.012; 90;  

COD ID: 4514839
CIF file Formula: - C21 H26 B N O4 S -
Comments: Kim, Jeongho; Shin, Minkyeong; Cho, Seung Hwan Copper-Catalyzed Diastereoselective and Enantioselective Addition of 1,1-Diborylalkanes to Cyclic Ketimines and α-Imino Esters ACS Catalysis 9(9) (2019) 8503
Space group: P 21 21 21
Cell volume: 4335.2
Cell parameters: 10.4319; 14.2343; 29.1953; 90; 90; 90;  

COD ID: 4514840
CIF file Formula: - C21 H26 B N O5 S -
Comments: Kim, Jeongho; Shin, Minkyeong; Cho, Seung Hwan Copper-Catalyzed Diastereoselective and Enantioselective Addition of 1,1-Diborylalkanes to Cyclic Ketimines and α-Imino Esters ACS Catalysis 9(9) (2019) 8503
Space group: P 31
Cell volume: 1625.8
Cell parameters: 9.9417; 9.9417; 18.9939; 90; 90; 120;  

COD ID: 4514841
CIF file Formula: - C23 H36 B F3 N2 O6 S -
Comments: Kim, Jeongho; Shin, Minkyeong; Cho, Seung Hwan Copper-Catalyzed Diastereoselective and Enantioselective Addition of 1,1-Diborylalkanes to Cyclic Ketimines and α-Imino Esters ACS Catalysis 9(9) (2019) 8503
Space group: P 21 21 21
Cell volume: 2845.3
Cell parameters: 9.2674; 10.7476; 28.5667; 90; 90; 90;  

COD ID: 4514842
CIF file Formula: - C31 H65 K N3 Si6 Y -
Comments: Zhai, Dan-Dan; Du, Hui-Zhen; Zhang, Xiang-Yu; Liu, Yu-Feng; Guan, Bing-Tao Potassium Yttrium Ate Complexes: Synergistic Effect Enabled Reversible H2 Activation and Catalytic Hydrogenation ACS Catalysis 9(9) (2019) 8766
Space group: P -1
Cell volume: 2266.1
Cell parameters: 9.999; 11.964; 19.292; 83.01; 85.8; 82.27;  

COD ID: 4514843
CIF file Formula: - C29 H69 K N3 O Si6 Y -
Comments: Zhai, Dan-Dan; Du, Hui-Zhen; Zhang, Xiang-Yu; Liu, Yu-Feng; Guan, Bing-Tao Potassium Yttrium Ate Complexes: Synergistic Effect Enabled Reversible H2 Activation and Catalytic Hydrogenation ACS Catalysis 9(9) (2019) 8766
Space group: P 1 21/c 1
Cell volume: 4253.6
Cell parameters: 11.344; 11.734; 31.997; 90; 92.915; 90;  

COD ID: 4514844
CIF file Formula: - C38 H30 F6 N2 O4 Pd S4 -
Comments: Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M. Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis ACS Catalysis 9(9) (2019) 7626
Space group: C 1 2/c 1
Cell volume: 3726.7
Cell parameters: 15.336; 10.1947; 24.0955; 90; 98.408; 90;  

COD ID: 4514845
CIF file Formula: - C34 H26 Cl2 F6 N2 O4 Pd S4 -
Comments: Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M. Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis ACS Catalysis 9(9) (2019) 7626
Space group: P -1
Cell volume: 902.4
Cell parameters: 9.0381; 10.3207; 10.3832; 68.768; 89.673; 88.327;  

COD ID: 4514846
CIF file Formula: - C17 H15 N O2 S2 -
Comments: Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M. Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis ACS Catalysis 9(9) (2019) 7626
Space group: C 1 2/c 1
Cell volume: 3146.2
Cell parameters: 32.753; 4.888; 23.981; 90; 124.967; 90;  

COD ID: 4514847
CIF file Formula: - C22 H23 N O2 S2 -
Comments: Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M. Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis ACS Catalysis 9(9) (2019) 7626
Space group: P -1
Cell volume: 1018.75
Cell parameters: 8.6349; 9.3163; 13.5605; 70.251; 85.755; 83.165;  

COD ID: 4514848
CIF file Formula: - C22 H24 O6 -
Comments: Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M. Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis ACS Catalysis 9(9) (2019) 7626
Space group: P 1 21/c 1
Cell volume: 1934.6
Cell parameters: 19.271; 4.5166; 23.345; 90; 107.803; 90;  

COD ID: 4514849
CIF file Formula: - C24 H23 N O4 S2 -
Comments: Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M. Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis ACS Catalysis 9(9) (2019) 7626
Space group: P 1 21/c 1
Cell volume: 2282.17
Cell parameters: 15.796; 15.246; 9.849; 90; 105.81; 90;  

COD ID: 4514850
CIF file Formula: - C23 H26 O6 -
Comments: Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M. Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis ACS Catalysis 9(9) (2019) 7626
Space group: P -1
Cell volume: 1037.3
Cell parameters: 9.7261; 10.89; 11.528; 65.75; 69.528; 86.877;  

COD ID: 4514851
CIF file Formula: - C23 H19 N S2 -
Comments: Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M. Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis ACS Catalysis 9(9) (2019) 7626
Space group: P 1 21/n 1
Cell volume: 1853.8
Cell parameters: 10.584; 4.346; 40.473; 90; 95.273; 90;  

COD ID: 4514852
CIF file Formula: - C20 H18 F N O2 S2 -
Comments: Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M. Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis ACS Catalysis 9(9) (2019) 7626
Space group: P -1
Cell volume: 913.91
Cell parameters: 7.0055; 10.2801; 13.131; 79.22; 84.888; 80.238;  

COD ID: 4514853
CIF file Formula: - C24 H32 O10 -
Comments: Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M. Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis ACS Catalysis 9(9) (2019) 7626
Space group: P 1 21 1
Cell volume: 591.25
Cell parameters: 11.2; 5.0559; 11.554; 90; 115.351; 90;  

COD ID: 4514854
CIF file Formula: - C28 H25 N O4 S2 -
Comments: Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M. Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis ACS Catalysis 9(9) (2019) 7626
Space group: P -1
Cell volume: 1212.59
Cell parameters: 8.4844; 12.3314; 12.7997; 112.337; 94.171; 98.558;  

COD ID: 4514855
CIF file Formula: - C19 H16 Cl N O2 S2 -
Comments: Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M. Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis ACS Catalysis 9(9) (2019) 7626
Space group: P -1
Cell volume: 877.96
Cell parameters: 6.5696; 10.4589; 13.1664; 79.911; 84.189; 81.356;  

COD ID: 4514856
CIF file Formula: - C23 H19 N O2 S3 -
Comments: Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M. Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis ACS Catalysis 9(9) (2019) 7626
Space group: P 1 21/n 1
Cell volume: 2020.1
Cell parameters: 6.9999; 10.6761; 27.063; 90; 92.75; 90;  

COD ID: 4514857
CIF file Formula: - C23 H17 Br N2 -
Comments: Hatano, Manabu; Nishio, Kosuke; Mochizuki, Takuya; Nishikawa, Keisuke; Ishihara, Kazuaki Highly Active Chiral Dilithium(I) Binaphthyldisulfonate Catalysts for Enantio- and Chemoselective Strecker-Type Reactions ACS Catalysis 9(9) (2019) 8178
Space group: P 1 21 1
Cell volume: 918.3
Cell parameters: 11.03; 5.7133; 14.591; 90; 92.925; 90;  

COD ID: 4514858
CIF file Formula: - C20 H19 N O3 S -
Comments: Liu, Jibing; Chakraborty, Pushkin; Zhang, Heng; Zhong, Liang; Wang, Zhi-Xiang; Huang, Xueliang Gold-Catalyzed Atom-Economic Synthesis of Sulfone-Containing Pyrrolo[2,1-a]isoquinolines from Diynamides: Evidence for Consecutive Sulfonyl Migration ACS Catalysis 9(3) (2019) 2610
Space group: P 1 21/c 1
Cell volume: 1724.4
Cell parameters: 8.2877; 14.334; 14.903; 90; 103.09; 90;  

COD ID: 4514859
CIF file Formula: - C17 H19 N O6 S -
Comments: Liu, Jibing; Chakraborty, Pushkin; Zhang, Heng; Zhong, Liang; Wang, Zhi-Xiang; Huang, Xueliang Gold-Catalyzed Atom-Economic Synthesis of Sulfone-Containing Pyrrolo[2,1-a]isoquinolines from Diynamides: Evidence for Consecutive Sulfonyl Migration ACS Catalysis 9(3) (2019) 2610
Space group: P 1 21/c 1
Cell volume: 1701.1
Cell parameters: 7.5531; 28.802; 8.5314; 90; 113.57; 90;  

COD ID: 4514860
CIF file Formula: - C22 H25 I N2 O2 Ru -
Comments: Kumar, Abhishek; Semwal, Shrivats; Choudhury, Joyanta Catalytic Conversion of CO2 to Formate with Renewable Hydrogen Donors: An Ambient-Pressure and H2-Independent Strategy ACS Catalysis 9(3) (2019) 2164
Space group: P -1
Cell volume: 1059.8
Cell parameters: 8.8149; 10.4274; 12.2762; 74.663; 83.855; 77.212;  

COD ID: 4514861
CIF file Formula: - C20 H14 Cl N O -
Comments: Fan, Xiaozhong; Zhang, Xue; Li, Chunyu; Gu, Zhenhua Enantioselective Atropisomeric Anilides Synthesis via Cu-Catalyzed Intramolecular Adjacent C‒N Coupling ACS Catalysis 9(3) (2019) 2286
Space group: P 1
Cell volume: 1592.41
Cell parameters: 8.6566; 11.3426; 16.584; 89.235; 77.991; 89.031;  

COD ID: 4514862
CIF file Formula: - C28 H32 N2 O2 -
Comments: Wu, Xiao; Chen, Chentuo; Guo, Ziyang; North, Michael; Whitwood, Adrian C. Metal- and Halide-Free Catalyst for the Synthesis of Cyclic Carbonates from Epoxides and Carbon Dioxide ACS Catalysis 9(3) (2019) 1895
Space group: P 1 21/c 1
Cell volume: 2336.69
Cell parameters: 13.969; 27.1371; 6.25424; 90; 99.738; 90;  

COD ID: 4514863
CIF file Formula: - C13 H12 Br Mn N2 O4 -
Comments: Steinlechner, Christoph; Roesel, Arend F.; Oberem, Elisabeth; Päpcke, Ayla; Rockstroh, Nils; Gloaguen, Frédéric; Lochbrunner, Stefan; Ludwig, Ralf; Spannenberg, Anke; Junge, Henrik; Francke, Robert; Beller, Matthias Selective Earth-Abundant System for CO2 Reduction: Comparing Photo- and Electrocatalytic Processes ACS Catalysis 9(3) (2019) 2091
Space group: P 1 21/c 1
Cell volume: 1498.43
Cell parameters: 11.071; 10.4143; 13.4557; 90; 105.015; 90;  

COD ID: 4514864
CIF file Formula: - C15 H10 Br Mn N2 O4 -
Comments: Steinlechner, Christoph; Roesel, Arend F.; Oberem, Elisabeth; Päpcke, Ayla; Rockstroh, Nils; Gloaguen, Frédéric; Lochbrunner, Stefan; Ludwig, Ralf; Spannenberg, Anke; Junge, Henrik; Francke, Robert; Beller, Matthias Selective Earth-Abundant System for CO2 Reduction: Comparing Photo- and Electrocatalytic Processes ACS Catalysis 9(3) (2019) 2091
Space group: P -1
Cell volume: 753.7
Cell parameters: 7.1769; 9.2213; 11.5716; 85.6351; 84.0784; 82.509;  

COD ID: 4514865
CIF file Formula: - C17 H13 Br O3 -
Comments: Zhang, Cheng; Li, Hongli; Pei, Chao; Qiu, Lihua; Hu, Wenhao; Bao, Xiaoguang; Xu, Xinfang Selective Vinylogous Reactivity of Carbene Intermediate in Gold-Catalyzed Alkyne Carbocyclization: Synthesis of Indenols ACS Catalysis 9(3) (2019) 2440
Space group: P c a 21
Cell volume: 1468
Cell parameters: 10.7383; 18.1542; 7.5303; 90; 90; 90;  

COD ID: 4514866
CIF file Formula: - C27 H32 O3 -
Comments: Zhang, Cheng; Li, Hongli; Pei, Chao; Qiu, Lihua; Hu, Wenhao; Bao, Xiaoguang; Xu, Xinfang Selective Vinylogous Reactivity of Carbene Intermediate in Gold-Catalyzed Alkyne Carbocyclization: Synthesis of Indenols ACS Catalysis 9(3) (2019) 2440
Space group: P 1 21 1
Cell volume: 1176.4
Cell parameters: 9.72; 7.5084; 16.171; 90; 94.588; 90;  

COD ID: 4514867
CIF file Formula: - C18 H12 F3 N3 O3 -
Comments: Zhang, Cheng; Li, Hongli; Pei, Chao; Qiu, Lihua; Hu, Wenhao; Bao, Xiaoguang; Xu, Xinfang Selective Vinylogous Reactivity of Carbene Intermediate in Gold-Catalyzed Alkyne Carbocyclization: Synthesis of Indenols ACS Catalysis 9(3) (2019) 2440
Space group: P 1 21/c 1
Cell volume: 1625.7
Cell parameters: 10.5383; 19.337; 7.9828; 90; 92.029; 90;  

COD ID: 4514868
CIF file Formula: - C50 H39 N Ni O P2 -
Comments: Orsino, Alessio F.; Gutiérrez Del Campo, Manuel; Lutz, Martin; Moret, Marc-Etienne Enhanced Catalytic Activity of Nickel Complexes of an Adaptive Diphosphine-Benzophenone Ligand in Alkyne Cyclotrimerization. ACS catalysis 9(3) (2019) 2458-2481
Space group: P -1
Cell volume: 2262.59
Cell parameters: 13.3161; 14.0105; 15.2863; 72.192; 64.226; 62.74;  

COD ID: 4514869
CIF file Formula: - C49 H39 N Ni O P2 -
Comments: Orsino, Alessio F.; Gutiérrez Del Campo, Manuel; Lutz, Martin; Moret, Marc-Etienne Enhanced Catalytic Activity of Nickel Complexes of an Adaptive Diphosphine-Benzophenone Ligand in Alkyne Cyclotrimerization. ACS catalysis 9(3) (2019) 2458-2481
Space group: P -1
Cell volume: 1926.26
Cell parameters: 9.5744; 11.9148; 18.1503; 102.462; 103.789; 97.605;  

COD ID: 4514870
CIF file Formula: - C54 H47 Ni P3 -
Comments: Orsino, Alessio F.; Gutiérrez Del Campo, Manuel; Lutz, Martin; Moret, Marc-Etienne Enhanced Catalytic Activity of Nickel Complexes of an Adaptive Diphosphine-Benzophenone Ligand in Alkyne Cyclotrimerization. ACS catalysis 9(3) (2019) 2458-2481
Space group: P 1 21/c 1
Cell volume: 4348
Cell parameters: 20.6558; 9.9242; 22.517; 90; 109.612; 90;  

COD ID: 4514871
CIF file Formula: - C54.5 H46 Ni O P2 -
Comments: Orsino, Alessio F.; Gutiérrez Del Campo, Manuel; Lutz, Martin; Moret, Marc-Etienne Enhanced Catalytic Activity of Nickel Complexes of an Adaptive Diphosphine-Benzophenone Ligand in Alkyne Cyclotrimerization. ACS catalysis 9(3) (2019) 2458-2481
Space group: P -1
Cell volume: 2149.77
Cell parameters: 10.3659; 14.4217; 16.331; 102.781; 99.4257; 110.567;  

COD ID: 4514872
CIF file Formula: - C210 H154 Br2 Cu6 F18 N30 O24 -
Comments: Prakasam, Thirumurugan; Devaraj, Anthonisamy; Saha, Rupak; Lusi, Matteo; Brandel, Jeremy; Esteban-Gómez, David; Platas-Iglesias, Carlos; Olson, Mark Anthony; Mukherjee, Partha Sarathi; Trabolsi, Ali Metal‒Organic Self-Assembled Trefoil Knots for C—Br Bond Activation ACS Catalysis 9(3) (2019) 1907
Space group: P -1
Cell volume: 5827.6
Cell parameters: 15.8225; 19.4848; 21.1157; 70.092; 81.078; 72.501;  

COD ID: 4514873
CIF file Formula: - C18 H28 O2 -
Comments: Yang, Junfeng; Sun, Qiao; Yoshikai, Naohiko Cobalt-Catalyzed Regio- and Diastereoselective Formal [3 + 2] Cycloaddition between Cyclopropanols and Allenes ACS Catalysis 9(3) (2019) 1973
Space group: P 3
Cell volume: 1217.5
Cell parameters: 15.378; 15.378; 5.9449; 90; 90; 120;  

COD ID: 4514874
CIF file Formula: - C19 H26 O -
Comments: Yang, Junfeng; Sun, Qiao; Yoshikai, Naohiko Cobalt-Catalyzed Regio- and Diastereoselective Formal [3 + 2] Cycloaddition between Cyclopropanols and Allenes ACS Catalysis 9(3) (2019) 1973
Space group: I -4 c 2
Cell volume: 6269.5
Cell parameters: 15.4852; 15.4852; 26.1457; 90; 90; 90;  

COD ID: 4514875
CIF file Formula: - C21 H22 O -
Comments: Yang, Junfeng; Sun, Qiao; Yoshikai, Naohiko Cobalt-Catalyzed Regio- and Diastereoselective Formal [3 + 2] Cycloaddition between Cyclopropanols and Allenes ACS Catalysis 9(3) (2019) 1973
Space group: P 1 21/n 1
Cell volume: 1522.3
Cell parameters: 8.787; 11.718; 14.849; 90; 95.361; 90;  

COD ID: 4514876
CIF file Formula: - C20 H19 N3 O2 -
Comments: Zhang, Lin-Bao; Zhu, Ming-Hui; Ni, Shao-Fei; Wen, Li-Rong; Li, Ming Silver-Mediated Indole (4 + 2) Dearomative Annulation with N-Radicals: A Strategy To Construct Heterocycle-Fused Indolines ACS Catalysis 9(3) (2019) 1680
Space group: P 21 21 21
Cell volume: 1654.4
Cell parameters: 7.1039; 11.823; 19.698; 90; 90; 90;  

COD ID: 4514877
CIF file Formula: - C27 H31 O2 Si -
Comments: Zhang, Shuo; Yao, Qi-Jun; Liao, Gang; Li, Xin; Li, Han; Chen, Hao-Ming; Hong, Xin; Shi, Bing-Feng Enantioselective Synthesis of Atropisomers Featuring Pentatomic Heteroaromatics by Pd-Catalyzed C‒H Alkynylation ACS Catalysis 9(3) (2019) 1956
Space group: C 1 2/c 1
Cell volume: 5055.5
Cell parameters: 27.6888; 8.415; 21.6977; 90; 90.427; 90;  

COD ID: 4514878
CIF file Formula: - C30 H32 O S Si -
Comments: Zhang, Shuo; Yao, Qi-Jun; Liao, Gang; Li, Xin; Li, Han; Chen, Hao-Ming; Hong, Xin; Shi, Bing-Feng Enantioselective Synthesis of Atropisomers Featuring Pentatomic Heteroaromatics by Pd-Catalyzed C‒H Alkynylation ACS Catalysis 9(3) (2019) 1956
Space group: P 21 21 21
Cell volume: 2650.49
Cell parameters: 10.8692; 13.9222; 17.5154; 90; 90; 90;  

COD ID: 4514879
CIF file Formula: - C32 H33 N O Si -
Comments: Zhang, Shuo; Yao, Qi-Jun; Liao, Gang; Li, Xin; Li, Han; Chen, Hao-Ming; Hong, Xin; Shi, Bing-Feng Enantioselective Synthesis of Atropisomers Featuring Pentatomic Heteroaromatics by Pd-Catalyzed C‒H Alkynylation ACS Catalysis 9(3) (2019) 1956
Space group: P 1 21 1
Cell volume: 2774.3
Cell parameters: 7.3547; 43.2835; 8.7345; 90; 93.821; 90;  

COD ID: 4514880
CIF file Formula: - C23 H30 Br Mn N2 O9 P2 -
Comments: Woo, Sung-Jun; Choi, Sunghan; Kim, So-Yoen; Kim, Pil Soo; Jo, Ju Hyoung; Kim, Chul Hoon; Son, Ho-Jin; Pac, Chyongjin; Kang, Sang Ook Highly Selective and Durable Photochemical CO2 Reduction by Molecular Mn(I) Catalyst Fixed on a Particular Dye-Sensitized TiO2 Platform ACS Catalysis 9(3) (2019) 2580
Space group: P -1
Cell volume: 1436.6
Cell parameters: 11.5014; 12.237; 12.4559; 61.15; 71.428; 73.307;  

COD ID: 4514881
CIF file Formula: - C17 H16 Br2 O5 -
Comments: Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy ACS Catalysis 9(3) (2019) 1645
Space group: P 1 21/c 1
Cell volume: 3377.26
Cell parameters: 20.647; 10.3884; 17.2385; 90; 114.021; 90;  

COD ID: 4514882
CIF file Formula: - C17 H15 Cl O5 -
Comments: Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy ACS Catalysis 9(3) (2019) 1645
Space group: P 1 21 1
Cell volume: 744.4
Cell parameters: 6.1976; 17.271; 7.158; 90; 103.688; 90;  

COD ID: 4514883
CIF file Formula: - C30 H25 Br N2 O5 -
Comments: Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy ACS Catalysis 9(3) (2019) 1645
Space group: P 1 21 1
Cell volume: 1274.63
Cell parameters: 11.584; 7.7058; 15.1367; 90; 109.376; 90;  

COD ID: 4514884
CIF file Formula: - C11 H12 O5 -
Comments: Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy ACS Catalysis 9(3) (2019) 1645
Space group: P 21 21 21
Cell volume: 1096.8
Cell parameters: 6.0801; 8.1103; 22.242; 90; 90; 90;  

COD ID: 4514885
CIF file Formula: - C33 H33 N3 O8 S -
Comments: Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy ACS Catalysis 9(3) (2019) 1645
Space group: P 21 21 21
Cell volume: 3100.7
Cell parameters: 8.7971; 17.2916; 20.3839; 90; 90; 90;  

COD ID: 4514886
CIF file Formula: - C27 H26 Cl N O7 -
Comments: Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy ACS Catalysis 9(3) (2019) 1645
Space group: P 1 21/c 1
Cell volume: 2338
Cell parameters: 6.2963; 32.789; 11.523; 90; 100.644; 90;  

COD ID: 4514887
CIF file Formula: - C11 H12 O5 -
Comments: Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy ACS Catalysis 9(3) (2019) 1645
Space group: C 1 c 1
Cell volume: 1044.4
Cell parameters: 6.0855; 12.683; 13.554; 90; 93.29; 90;  

COD ID: 4514888
CIF file Formula: - C28 H26 F6 N2 O8 -
Comments: Sletten, Eric T.; Tu, Yi-Jung; Schlegel, H. Bernhard; Nguyen, Hien M. Are Brønsted Acids the True Promoter of Metal-Triflate-Catalyzed Glycosylations? A Mechanistic Probe into 1,2-cis-Aminoglycoside Formation by Nickel Triflate ACS Catalysis 9(3) (2019) 2110
Space group: P 21 21 21
Cell volume: 3043.1
Cell parameters: 11.7248; 13.6488; 19.0159; 90; 90; 90;  

COD ID: 4514889
CIF file Formula: - C16 H12 Cl N S -
Comments: Wang, Huamin; Li, Yongli; Lu, Qingquan; Yu, Mingming; Bai, Xudong; Wang, Shengchun; Cong, Hengjiang; Zhang, Heng; Lei, Aiwen Oxidation-Induced β-Selective C‒H Bond Functionalization: Thiolation and Selenation of N-Heterocycles ACS Catalysis 9(3) (2019) 1888
Space group: P n a 21
Cell volume: 1373.1
Cell parameters: 7.6912; 23.747; 7.518; 90; 90; 90;  

COD ID: 4515457
CIF file Formula: - C27 H25 N -
Comments: Tian, Jun-Jie; Zeng, Ning-Ning; Liu, Ning; Tu, Xian-Shuang; Wang, Xiao-Chen Intramolecular Cyclizations of Vinyl-Substituted N,N-Dialkyl Arylamines Enabled by Borane-Assisted Hydride Transfer ACS Catalysis 9(1) (2018) 295
Space group: P -1
Cell volume: 1970.1
Cell parameters: 11.627; 11.659; 15.889; 85.73; 77.49; 69.54;  

COD ID: 4515458
CIF file Formula: - C25 H19 Br Mn N2 O2 P -
Comments: Das, Uttam Kumar; Ben-David, Yehoshoa; Leitus, Gregory; Diskin-Posner, Yael; Milstein, David Dehydrogenative Cross-Coupling of Primary Alcohols To Form Cross-Esters Catalyzed by a Manganese Pincer Complex ACS Catalysis 9(1) (2018) 479
Space group: P 1 21/c 1
Cell volume: 2219.93
Cell parameters: 12.9669; 13.874; 12.3572; 90; 93.057; 90;  

COD ID: 4515459
CIF file Formula: - C32 H26 Mn N2 O3 P -
Comments: Das, Uttam Kumar; Ben-David, Yehoshoa; Leitus, Gregory; Diskin-Posner, Yael; Milstein, David Dehydrogenative Cross-Coupling of Primary Alcohols To Form Cross-Esters Catalyzed by a Manganese Pincer Complex ACS Catalysis 9(1) (2018) 479
Space group: P 1 21/c 1
Cell volume: 2630.72
Cell parameters: 9.7663; 16.9042; 16.0896; 90; 97.951; 90;  

COD ID: 4515460
CIF file Formula: - C18 H23 N3 O2 -
Comments: van der Puyl, Vincent A.; Derosa, Joseph; Engle, Keary M. Directed, Nickel-Catalyzed Umpolung 1,2-Carboamination of Alkenyl Carbonyl Compounds ACS Catalysis 9(1) (2018) 224
Space group: P 1 21/c 1
Cell volume: 1587.5
Cell parameters: 8.3986; 10.167; 18.964; 90; 101.38; 90;  

COD ID: 4515461
CIF file Formula: - C20 H27 N3 O2 -
Comments: van der Puyl, Vincent A.; Derosa, Joseph; Engle, Keary M. Directed, Nickel-Catalyzed Umpolung 1,2-Carboamination of Alkenyl Carbonyl Compounds ACS Catalysis 9(1) (2018) 224
Space group: P -1
Cell volume: 1825.2
Cell parameters: 9.4368; 11.2965; 18.1549; 81.081; 81.652; 73.77;  

COD ID: 4515462
CIF file Formula: - C22 H33 B F2 O4 Si -
Comments: Guo, Wen-Hao; Zhao, Hai-Yang; Luo, Zhi-Ji; Zhang, Shu; Zhang, Xingang Fluoroalkylation‒Borylation of Alkynes: An Efficient Method To Obtain (Z)-Tri- and Tetrasubstituted Fluoroalkylated Alkenylboronates ACS Catalysis 9(1) (2018) 38
Space group: P 21 21 21
Cell volume: 2445.32
Cell parameters: 7.4443; 10.4007; 31.5827; 90; 90; 90;  

COD ID: 4515463
CIF file Formula: - C28 H47 B O8 P2 Pd -
Comments: Espinosa, Matthew R.; Charboneau, David J.; Garcia de Oliveira, André; Hazari, Nilay Controlling Selectivity in the Hydroboration of Carbon Dioxide to the Formic Acid, Formaldehyde, and Methanol Oxidation Levels ACS Catalysis 9(1) (2018) 301
Space group: C 1 2/c 1
Cell volume: 6389.9
Cell parameters: 26.0162; 11.1134; 23.2857; 90; 108.358; 90;  

COD ID: 4515464
CIF file Formula: - C9 H15 B O2 -
Comments: Espinosa, Matthew R.; Charboneau, David J.; Garcia de Oliveira, André; Hazari, Nilay Controlling Selectivity in the Hydroboration of Carbon Dioxide to the Formic Acid, Formaldehyde, and Methanol Oxidation Levels ACS Catalysis 9(1) (2018) 301
Space group: I 41/a c d :2
Cell volume: 6807.7
Cell parameters: 13.2301; 13.2301; 38.893; 90; 90; 90;  

COD ID: 4515465
CIF file Formula: - C15 H15 Cl N2 -
Comments: Fu, Niankai; Shen, Yifan; Allen, Anthony R.; Song, Lu; Ozaki, Atsushi; Lin, Song Mn-Catalyzed Electrochemical Chloroalkylation of Alkenes. ACS catalysis 9(1) (2019) 746-754
Space group: P 1 21/n 1
Cell volume: 1332.43
Cell parameters: 8.473; 17.4446; 9.0374; 90; 94.072; 90;  


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