Crystallography Open Database

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4514742 CIFC45 H67 Co I N2 O P3 ZrP -19.9663; 10.4166; 23.1907
81.58; 83.529; 82.278
2349.34Gramigna, 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, 2019, 9, 3153
4514743 CIFC35 H65 Co I N2 O P3 ZrC 1 2/c 138.6599; 12.0858; 18.3535
90; 103.833; 90
8326.7Gramigna, 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, 2019, 9, 3153
4514744 CIFC45 H69 Co I N2 O P3 ZrP -112.2182; 13.374; 16.9003
70.756; 71.3; 74.862
2432.1Gramigna, 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, 2019, 9, 3153
4514745 CIFC46 H64 Co I N2 O P2 ZrP -110.7474; 11.7734; 20.3607
77.69; 79.557; 69.802
2345.95Gramigna, 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, 2019, 9, 3153
4514746 CIFC31 H38 B N3 O4P 1 21 16.5323; 24.418; 9.191
90; 104.387; 90
1420.04Liu, Zhen; Li, Xiaohan; Zeng, Tian; Engle, Keary M.
Directed, Palladium(II)-Catalyzed Enantioselective anti-Carboboration of Alkenyl Carbonyl Compounds
ACS Catalysis, 2019, 9, 3260
4514747 CIFC17 H18 N2 O3 PdP 1 21/n 18.6104; 10.5955; 17.71
90; 99.051; 90
1595.59Liu, Zhen; Li, Xiaohan; Zeng, Tian; Engle, Keary M.
Directed, Palladium(II)-Catalyzed Enantioselective anti-Carboboration of Alkenyl Carbonyl Compounds
ACS Catalysis, 2019, 9, 3260
4514748 CIFC30 H36 B N3 O3P 1 21 16.3743; 23.6017; 9.0486
90; 101.68; 90
1333.12Liu, Zhen; Li, Xiaohan; Zeng, Tian; Engle, Keary M.
Directed, Palladium(II)-Catalyzed Enantioselective anti-Carboboration of Alkenyl Carbonyl Compounds
ACS Catalysis, 2019, 9, 3260
4514749 CIFC44 H40 N6 O10 Zn2P -18.7707; 11.7137; 13.5892
82.784; 81.615; 88.403
1370.2Markad, 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, 2019, 9, 3165
4514750 CIFC42 H33 Cl F2 Ni P2C 1 2/c 130.115; 11.645; 20.4586
90; 102.223; 90
7012Stadler, Sonja M.; Göttker-Schnetmann, Inigo; Mecking, Stefan
Incorporation of Radicals during Ni(II)-Catalyzed Ethylene Insertion Polymerization
ACS Catalysis, 2019, 9, 2760
4514751 CIFC51 H58 F2 N Ni O2 PP b c a16.868; 20.0011; 26.7439
90; 90; 90
9022.8Stadler, Sonja M.; Göttker-Schnetmann, Inigo; Mecking, Stefan
Incorporation of Radicals during Ni(II)-Catalyzed Ethylene Insertion Polymerization
ACS Catalysis, 2019, 9, 2760
4514752 CIFC10 H9 Br O3P 1 21 14.7773; 16.685; 6.289
90; 104.66; 90
485Sawano, Takahiro; Yamamoto, Hisashi
Enantioselective Epoxidation of β,γ-Unsaturated Carboxylic Acids by a Cooperative Binuclear Titanium Complex
ACS Catalysis, 2019, 9, 3384
4514753 CIFC22 H19 Br N2 O2P 21 21 217.3331; 9.8564; 25.7259
90; 90; 90
1859.42Yang, 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, 2019, 9, 1258
4514754 CIFC36 H32 Cl2 N4 O2P 1 21 111.3963; 10.25731; 13.268
90; 95.0958; 90
1544.84Yang, 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, 2019, 9, 1258
4514755 CIFC22 H19 N O3 SP 1 21 117.546; 6.607; 17.993
90; 115.207; 90
1887.2Bai, 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, 2019, 9, 1431
4514756 CIFC25 H24 N O3 SP 21 21 219.162; 10.694; 22.484
90; 90; 90
2203Bai, 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, 2019, 9, 1431
4514757 CIFC29 H21 N O3 SP 21 21 216.556; 13.237; 25.625
90; 90; 90
2223.8Bai, 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, 2019, 9, 1431
4514758 CIFC23 H21 N O5 SP 21 21 218.9405; 10.0639; 23.127
90; 90; 90
2080.9Bai, 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, 2019, 9, 1431
4514759 CIFC18 H16 Br2 O2P -324.679; 24.679; 9.5417
90; 90; 120
5032.8Trost, Barry M.; Tracy, Jacob S.
Vanadium-Catalyzed Synthesis of Geometrically Defined Acyclic Tri- and Tetrasubstituted Olefins from Propargyl Alcohols
ACS Catalysis, 2019, 9, 1584
4514760 CIFC12.5 H16 Cl2 Co N1.5 OP 18.5586; 8.9303; 9.6822
76.723; 86.703; 85.126
717.08Wen, Huanan; Wang, Kuan; Zhang, Yanlu; Liu, Guixia; Huang, Zheng
Cobalt-Catalyzed Regio- and Enantioselective Markovnikov 1,2-Hydrosilylation of Conjugated Dienes
ACS Catalysis, 2019, 9, 1612
4514761 CIFC16 H18 Cl2 Co N2 OP 1 21 19.7507; 13.413; 12.9181
90; 90.316; 90
1689.48Wen, Huanan; Wang, Kuan; Zhang, Yanlu; Liu, Guixia; Huang, Zheng
Cobalt-Catalyzed Regio- and Enantioselective Markovnikov 1,2-Hydrosilylation of Conjugated Dienes
ACS Catalysis, 2019, 9, 1612
4514762 CIFC29.48 H29.66 Cl1.27 N O3C 1 2 125.1281; 6.268; 15.987
90; 99.524; 90
2483.29Trost, 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, 2019, 9, 1549
4514763 CIFC22 H19 O PP 1 21 115.7797; 6.4246; 18.8309
90; 114.711; 90
1734.23Lu, 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, 2019, 9, 1457
4514764 CIFC27 H26 F2 N O2 PP 1 21 110.6041; 11.5598; 19.577
90; 94.744; 90
2391.6Lu, 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, 2019, 9, 1457
4514765 CIFC24 H21 O3 PP 21 21 219.561; 9.713; 20.717
90; 90; 90
1923.9Lu, 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, 2019, 9, 1457
4514766 CIFC20 H27 N O6P 1 21 16.03; 19.3547; 9.0029
90; 102.453; 90
1026Sim, Jaehoon; Campbell, Mark W.; Molander, Gary A.
Synthesis of α-Fluoro-α-Amino Acid Derivatives via Photoredox-Catalyzed Carbofluorination.
ACS catalysis, 2019, 9, 1558-1563
4514767 CIFC15 H16 O2P 21 21 215.6039; 10.7509; 19.196
90; 90; 90
1156.5Zheng, 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, 2019, 9, 5515
4514768 CIFC35 H51 F6 N3 O5 S2 ZnP 21 21 2113.6599; 14.2563; 20.5882
90; 90; 90
4009.34Procter, 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, 2019, 9, 5760
4514769 CIFC37 H47 F6 N3 O4 S2 ZnP 1 21/c 119.3499; 20.6938; 20.4521
90; 105.975; 90
7873.2Procter, 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, 2019, 9, 5760
4514770 CIFC26.67 H32.67 Cl2 F4 N2 O2.67 S1.33 Zn0.67P -110.0474; 16.5268; 16.5479
117.002; 106.69; 94.539
2273.4Procter, 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, 2019, 9, 5760
4514771 CIFC47 H56 N2 ZnP 1 21/c 119.3717; 16.9243; 27.5305
90; 101.738; 90
8837.2Procter, 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, 2019, 9, 5760
4514772 CIFC35 H54 Cl2 N2 O1.5 ZnP 1 21/c 112.9149; 19.5194; 19.2829
90; 133.379; 90
3533.1Procter, 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, 2019, 9, 5760
4514773 CIFC41 H52 N2 ZnP 1 21/c 120.3293; 9.7719; 18.4536
90; 106.688; 90
3511.5Procter, 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, 2019, 9, 5760
4514774 CIFC43 H57 F6 N3 O6 S2 ZnP -111.9544; 13.4764; 15.7416
95.505; 100.925; 110.249
2299.96Procter, 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, 2019, 9, 5760
4514775 CIFC19 H18 O2P 21 21 219.663; 9.7186; 31.0442
90; 90; 90
2915.39Yang, Junfeng; Sekiguchi, Yoshiya; Yoshikai, Naohiko
Cobalt-Catalyzed Enantioselective and Chemodivergent Addition of Cyclopropanols to Oxabicyclic Alkenes
ACS Catalysis, 2019, 9, 5638
4514776 CIFC27 H25 O3 P SP 21 21 213.6131; 35.785; 9.9738
90; 90; 90
4858.7Zhang, 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, 2019, 9, 4834
4514777 CIFC46 H72 Dy F9 N4 O17 S3P 1 21 112.1386; 16.1932; 15.8018
90; 97.546; 90
3079.1Zhang, 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, 2019, 9, 4834
4514778 CIFC51 H84 F9 N4 O18 Pr S3P 1 21 112.1823; 16.5445; 16.408
90; 101.368; 90
3242.2Zhang, 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, 2019, 9, 4834
4514779 CIFC53 H82 F9 N4 O15 S3 TmP 21 21 2115.6161; 19.6361; 21.6999
90; 90; 90
6654Zhang, 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, 2019, 9, 4834
4514780 CIFC44 H40 O P2P 21 21 219.9449; 17.1268; 19.9556
90; 90; 90
3398.92Batuecas, 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, 2019, 9, 5268
4514781 CIFC17 H11 Cr F O5P 17.0791; 7.2172; 16.4881
85.775; 87.502; 64.437
757.81Batuecas, 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, 2019, 9, 5268
4514782 CIFC43 H32 Cl2 N4 OP -111.209; 13.582; 13.728
60.753; 79.38; 76.89
1769.4Takamatsu, 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, 2019, 9, 5336
4514783 CIFC31 H31 N O2 SP -110.628; 11.4207; 12.9524
65.936; 85.626; 72.954
1370.77Li, 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, 2019, 9, 5184
4514784 CIFC28 H27 N O2 SP 1 21/c 114.0088; 9.652; 19.0811
90; 109.714; 90
2428.79Li, 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, 2019, 9, 5184
4514785 CIFC15 H17 N O4P n a 219.7201; 26.2838; 5.4483
90; 90; 90
1391.94Wu, 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, 2019, 9, 6335
4514786 CIFC16 H12 N2P n a 217.5559; 13.9087; 11.4271
90; 90; 90
1200.91Wu, 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, 2019, 9, 6335
4514787 CIFC8 H6 NP 1 21/n 17.8048; 5.9454; 13.2408
90; 92.593; 90
613.78Wu, 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, 2019, 9, 6335
4514788 CIFC11 H11 F3 O2P 41 21 27.262; 7.262; 41.516
90; 90; 90
2189.41Kerdphon, 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, 2019, 9, 6169
4514789 CIFC18 H15 N O2P 21 21 218.98144; 9.10592; 35.9259
90; 90; 90
2938.17Li, 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, 2019, 9, 6522
4514790 CIFC19 H17 N OP 1 21 19.3678; 6.9408; 11.2829
90; 93.95; 90
731.872Li, 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, 2019, 9, 6522
4514791 CIFC25 H22 I O PP n a 2114.0443; 8.9519; 34.5515
90; 90; 90
4343.92Zhang, 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, 2019, 9, 6118

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