Crystallography Open Database
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Searching journal of publication like 'ACS Catalysis' volume of publication is 7
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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4513994 | CIF | C46 H52 Cu2 N10 | P 21 21 21 | 15.431; 16.964; 23.348 90; 90; 90 | 6112 | Trose, Michael; Lazreg, Faïma; Chang, Tao; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J. Neutral Dinuclear Copper(I)-NHC Complexes: Synthesis and Application in the Hydrosilylation of Ketones ACS Catalysis, 2017, 7, 238 |
4513999 | CIF | C25 H39 Cl F3 Ir N O3 P S | P 1 21/c 1 | 8.1455; 16.5588; 20.962 90; 94.132; 90 | 2820 | Celaje, Jeff Joseph A.; Zhang, Xingyue; Zhang, Forrest; Kam, Lisa; Herron, Jessica R.; Williams, Travis J. A Base and Solvent-Free Ruthenium-Catalyzed Alkylation of Amines ACS Catalysis, 2017, 7, 1136 |
4514008 | CIF | C17 H24 N O3 S | P 1 21 1 | 9.0973; 8.2011; 22.9008 90; 99.357; 90 | 1685.85 | Feng, Jian-Jun; Zhang, Junliang Rhodium-Catalyzed Stereoselective Intramolecular Tandem Reaction of Vinyloxiranes with Alkynes: Atom- and Step-Economical Synthesis of Multifunctional Mono-, Bi-, and Tricyclic Compounds ACS Catalysis, 2017, 7, 1533 |
4514010 | CIF | C54 H46 Al F15 N3 O Re | P -1 | 12.546; 14.078; 17.037 67.591; 72.379; 69.555 | 2556.2 | Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A. Tuning Catalytic Activity in the Hydrogenation of Unactivated Olefins with Transition-Metal Oxos as the Lewis Base Component of Frustrated Lewis Pairs ACS Catalysis, 2017, 7, 1170 |
4514011 | CIF | C37.5 H47 Cl N3 O Re | P 1 21/n 1 | 15.6648; 13.4862; 17.082 90; 105.914; 90 | 3470.4 | Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A. Tuning Catalytic Activity in the Hydrogenation of Unactivated Olefins with Transition-Metal Oxos as the Lewis Base Component of Frustrated Lewis Pairs ACS Catalysis, 2017, 7, 1170 |
4514012 | CIF | C28 H27 N3 O8 S2 | C 1 c 1 | 16.946; 13.855; 12.2464 90; 100.543; 90 | 2826.8 | Rivinoja, Daniel J.; Gee, Yi Sing; Gardiner, Michael G.; Ryan, John H.; Hyland, Christopher J. T. The Diastereoselective Synthesis of Pyrroloindolines by Pd-Catalyzed Dearomative Cycloaddition of 1-Tosyl-2-vinylaziridine to 3-Nitroindoles ACS Catalysis, 2017, 7, 1053 |
4514013 | CIF | C25 H24 O3 | P 21 21 21 | 6.72474; 16.401; 17.4977 90; 90; 90 | 1929.86 | James, Jinju; Guiry, Patrick J. Highly Enantioselective Construction of Sterically Hindered α-Allyl-α-Aryl Lactones via Palladium-Catalyzed Decarboxylative Asymmetric Allylic Alkylation ACS Catalysis, 2017, 7, 1397 |
4514014 | CIF | C16 H13 Au Cl5 N O2 | P -1 | 8.2785; 8.9703; 14.5673 76.336; 87.282; 65.557 | 955.4 | Tomás-Mendivil, Eder; Heinrich, Clément F.; Ortuno, Jean-Claude; Starck, Jérôme; Michelet, Véronique Gold-Catalyzed Access to 1H-Isochromenes: Reaction Development and Mechanistic Insight ACS Catalysis, 2017, 7, 380 |
4514015 | CIF | C17 H19 F3 I N O3 | C 1 2/c 1 | 47.1143; 4.86847; 16.0241 90; 97.7446; 90 | 3641.99 | Shen, Yangyang; Cornella, Josep; Juliá-Hernández, Francisco; Martin, Ruben Visible-Light-Promoted Atom Transfer Radical Cyclization of Unactivated Alkyl Iodides ACS Catalysis, 2017, 7, 409 |
4514016 | CIF | C46 H56 Cu2 N10 | P 1 21/c 1 | 11.3017; 13.5088; 14.966 90; 108.686; 90 | 2164.5 | Trose, Michael; Lazreg, Faïma; Chang, Tao; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J. Neutral Dinuclear Copper(I)-NHC Complexes: Synthesis and Application in the Hydrosilylation of Ketones ACS Catalysis, 2017, 7, 238 |
4514017 | CIF | C35 H54 Cl2 Cu2 N10 | I 41/a | 20.4817; 20.4817; 21.6349 90; 90; 90 | 9075.8 | Trose, Michael; Lazreg, Faïma; Chang, Tao; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J. Neutral Dinuclear Copper(I)-NHC Complexes: Synthesis and Application in the Hydrosilylation of Ketones ACS Catalysis, 2017, 7, 238 |
4514023 | CIF | C78 H65 Cl F6 P5 Pd3 Sb | P 1 21/c 1 | 15.3747; 16.9302; 27.578 90; 93.07; 90 | 7168.2 | Fu, Fangyu; Xiang, Ji; Cheng, Hao; Cheng, Longjiu; Chong, Hanbao; Wang, Shuxin; Li, Peng; Wei, Shiqiang; Zhu, Manzhou; Li, Yadong A Robust and Efficient Pd3 Cluster Catalyst for the Suzuki Reaction and Its Odd Mechanism ACS Catalysis, 2017, 7, 1860 |
4514024 | CIF | C94 H118 Ge2 N2 O Si2 | C 1 2/c 1 | 24.283; 21.152; 17.759 90; 114.38; 90 | 8308 | Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido‒Germanium(II) and −Tin(II) Hydride Complexes ACS Catalysis, 2017, 7, 1853 |
4514025 | CIF | C52 H69 B N O3.5 Si Sn | P -1 | 10.1191; 12.9066; 18.7646 88.763; 86.92; 85.612 | 2439.63 | Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido‒Germanium(II) and −Tin(II) Hydride Complexes ACS Catalysis, 2017, 7, 1853 |
4514026 | CIF | C45 H53 N O2 Si Sn | P -1 | 9.99; 11.36; 18.89 86.59; 85.63; 67.69 | 1976.4 | Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido‒Germanium(II) and −Tin(II) Hydride Complexes ACS Catalysis, 2017, 7, 1853 |
4514027 | CIF | C15 H23 N3 O3 | P b c a | 16.5344; 9.4279; 20.9981 90; 90; 90 | 3273.3 | Bai, He-Yuan; Ma, Zhi-Gang; Yi, Min; Lin, Jun-Bing; Zhang, Shu-Yu Palladium-Catalyzed Direct Intermolecular Amination of Unactivated Methylene C(sp3)‒H Bonds with Azodiformates via Bidentate-Chelation Assistance ACS Catalysis, 2017, 7, 2042 |
4514028 | CIF | C56.25 H50.5 F12 N10 O4.75 P2 Ru2 | C 1 2/c 1 | 23.6464; 24.1857; 24.249 90; 116.899; 90 | 12367.7 | Odrobina, Jann; Scholz, Julius; Pannwitz, Andrea; Francàs, Laia; Dechert, Sebastian; Llobet, Antoni; Jooss, Christian; Meyer, Franc Backbone Immobilization of the Bis(bipyridyl)pyrazolate Diruthenium Catalyst for Electrochemical Water Oxidation ACS Catalysis, 2017, 7, 2116 |
4514029 | CIF | C61 H60 F12 N10 O7 P2 Ru2 | C 1 2/c 1 | 18.7376; 22.1944; 15.7519 90; 90.788; 90 | 6550.1 | Odrobina, Jann; Scholz, Julius; Pannwitz, Andrea; Francàs, Laia; Dechert, Sebastian; Llobet, Antoni; Jooss, Christian; Meyer, Franc Backbone Immobilization of the Bis(bipyridyl)pyrazolate Diruthenium Catalyst for Electrochemical Water Oxidation ACS Catalysis, 2017, 7, 2116 |
4514030 | CIF | C42 H36 F2 Fe Ni P2 S | P -1 | 11.2326; 11.336; 16.1197 78.107; 72.51; 67.279 | 1796.3 | Kalvet, Indrek; Guo, Qianqian; Tizzard, Graham J.; Schoenebeck, Franziska When Weaker Can Be Tougher: The Role of Oxidation State (I) in P- vs N-Ligand-Derived Ni-Catalyzed Trifluoromethylthiolation of Aryl Halides. ACS catalysis, 2017, 7, 2126-2132 |
4514031 | CIF | C40 H34 Fe I2 Ni P2 | P -1 | 8.9532; 10.0303; 20.4331 91.917; 99.127; 94.971 | 1802.83 | Kalvet, Indrek; Guo, Qianqian; Tizzard, Graham J.; Schoenebeck, Franziska When Weaker Can Be Tougher: The Role of Oxidation State (I) in P- vs N-Ligand-Derived Ni-Catalyzed Trifluoromethylthiolation of Aryl Halides. ACS catalysis, 2017, 7, 2126-2132 |
4514037 | CIF | C54.5 H45 Ag4 Cl5 O10 | P 1 21/n 1 | 11.2473; 18.5148; 26.3786 90; 97.2988; 90 | 5448.6 | Zhou, Zhen; He, Cheng; Yang, Lu; Wang, Yefei; Liu, Tao; Duan, Chunying Alkyne Activation by a Porous Silver Coordination Polymer for Heterogeneous Catalysis of Carbon Dioxide Cycloaddition ACS Catalysis, 2017, 7, 2248 |
4514038 | CIF | C15 H12 Ag2 O6 | C 1 2/c 1 | 26.064; 19.397; 11.0996 90; 97.166; 90 | 5567.7 | Zhou, Zhen; He, Cheng; Yang, Lu; Wang, Yefei; Liu, Tao; Duan, Chunying Alkyne Activation by a Porous Silver Coordination Polymer for Heterogeneous Catalysis of Carbon Dioxide Cycloaddition ACS Catalysis, 2017, 7, 2248 |
4514040 | CIF | C24 H18 Cl6 N O5 V | P 1 21 1 | 7.20833; 12.3392; 14.6278 90; 93.647; 90 | 1298.44 | Miceli, Claudia; Rintjema, Jeroen; Martin, Eddy; Escudero-Adán, Eduardo C.; Zonta, Cristiano; Licini, Giulia; Kleij, Arjan W. Vanadium(V) Catalysts with High Activity for the Coupling of Epoxides and CO2: Characterization of a Putative Catalytic Intermediate ACS Catalysis, 2017, 7, 2367 |
4514041 | CIF | C24 H17 Cl7 N O5 V | P 1 21/c 1 | 7.1728; 13.0626; 28.541 90; 96.136; 90 | 2658.8 | Miceli, Claudia; Rintjema, Jeroen; Martin, Eddy; Escudero-Adán, Eduardo C.; Zonta, Cristiano; Licini, Giulia; Kleij, Arjan W. Vanadium(V) Catalysts with High Activity for the Coupling of Epoxides and CO2: Characterization of a Putative Catalytic Intermediate ACS Catalysis, 2017, 7, 2367 |
4514051 | CIF | C44 H30 F5 N2 P | P 1 21 1 | 12.37; 45.6483; 12.6634 90; 97.6938; 90 | 7086.3 | Paioti, Paulo H. S.; Abboud, Khalil A.; Aponick, Aaron Incorporation of Axial Chirality into Phosphino-Imidazoline Ligands for Enantioselective Catalysis ACS Catalysis, 2017, 7, 2133 |
4514052 | CIF | C78 H65 Br0.69 Cl0.31 F6 P5 Pd3 Sb | P 1 21/c 1 | 15.3662; 16.9466; 27.676 90; 92.693; 90 | 7199 | Fu, Fangyu; Xiang, Ji; Cheng, Hao; Cheng, Longjiu; Chong, Hanbao; Wang, Shuxin; Li, Peng; Wei, Shiqiang; Zhu, Manzhou; Li, Yadong A Robust and Efficient Pd3 Cluster Catalyst for the Suzuki Reaction and Its Odd Mechanism ACS Catalysis, 2017, 7, 1860 |
4514053 | CIF | C50 H64 B Ge N O3 Si | P -1 | 9.93; 14.88; 15.29 91; 91.6; 98.1 | 2235.3 | Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido‒Germanium(II) and −Tin(II) Hydride Complexes ACS Catalysis, 2017, 7, 1853 |
4514054 | CIF | C101 H134 Ge2 N2 O2 Si2 | C 1 2/c 1 | 31.052; 19.593; 17.8613 90; 105.933; 90 | 10449.4 | Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido‒Germanium(II) and −Tin(II) Hydride Complexes ACS Catalysis, 2017, 7, 1853 |
4514055 | CIF | C38 H36 N2 O5 S2 | P 21 21 21 | 10.9061; 12.6404; 28.3159 90; 90; 90 | 3903.6 | Feng, Jian-Jun; Zhang, Junliang Rhodium-Catalyzed Stereoselective Intramolecular Tandem Reaction of Vinyloxiranes with Alkynes: Atom- and Step-Economical Synthesis of Multifunctional Mono-, Bi-, and Tricyclic Compounds ACS Catalysis, 2017, 7, 1533 |
4514056 | CIF | C17 H21 N O3 S | P 21 21 21 | 8.1166; 13.77; 15.4267 90; 90; 90 | 1724.17 | Feng, Jian-Jun; Zhang, Junliang Rhodium-Catalyzed Stereoselective Intramolecular Tandem Reaction of Vinyloxiranes with Alkynes: Atom- and Step-Economical Synthesis of Multifunctional Mono-, Bi-, and Tricyclic Compounds ACS Catalysis, 2017, 7, 1533 |
4514057 | CIF | C25 H44 Mn N O3 P2 | P n a 21 | 30.3732; 11.6836; 7.6516 90; 90; 90 | 2715.3 | Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Paul, Jean-François; Dumeignil, Franck; Gauvin, Régis M. Manganese Pincer Complexes for the Base-Free, Acceptorless Dehydrogenative Coupling of Alcohols to Esters: Development, Scope, and Understanding ACS Catalysis, 2017, 7, 2022 |
4514058 | CIF | C18 H41 B Mn N O2 P2 | P b c a | 17.2037; 14.6522; 19.066 90; 90; 90 | 4806 | Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Paul, Jean-François; Dumeignil, Franck; Gauvin, Régis M. Manganese Pincer Complexes for the Base-Free, Acceptorless Dehydrogenative Coupling of Alcohols to Esters: Development, Scope, and Understanding ACS Catalysis, 2017, 7, 2022 |
4514059 | CIF | C18 H38 Mn N O2 P2 | P 1 21/c 1 | 10.6335; 14.5777; 13.8441 90; 97.449; 90 | 2127.9 | Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Paul, Jean-François; Dumeignil, Franck; Gauvin, Régis M. Manganese Pincer Complexes for the Base-Free, Acceptorless Dehydrogenative Coupling of Alcohols to Esters: Development, Scope, and Understanding ACS Catalysis, 2017, 7, 2022 |
4514060 | CIF | C40 H34 Br Fe Ni P2 | P -1 | 9.6075; 10.9191; 17.624 96.565; 105.405; 103.759 | 1699.9 | Kalvet, Indrek; Guo, Qianqian; Tizzard, Graham J.; Schoenebeck, Franziska When Weaker Can Be Tougher: The Role of Oxidation State (I) in P- vs N-Ligand-Derived Ni-Catalyzed Trifluoromethylthiolation of Aryl Halides. ACS catalysis, 2017, 7, 2126-2132 |
4514061 | CIF | C72 H64 Fe2 I2 Ni2 O P4 | C 1 2/c 1 | 23.6771; 13.9547; 19.1841 90; 90.394; 90 | 6338.4 | Kalvet, Indrek; Guo, Qianqian; Tizzard, Graham J.; Schoenebeck, Franziska When Weaker Can Be Tougher: The Role of Oxidation State (I) in P- vs N-Ligand-Derived Ni-Catalyzed Trifluoromethylthiolation of Aryl Halides. ACS catalysis, 2017, 7, 2126-2132 |
4514062 | CIF | C18 H17 N O2 | P -1 | 7.3719; 8.0356; 12.4786 82.255; 78.93; 86.099 | 718.16 | Wu, Xiaowei; Wang, Bao; Zhou, Shengbin; Zhou, Yu; Liu, Hong Ruthenium-Catalyzed Redox-Neutral [4 + 1] Annulation of Benzamides and Propargyl Alcohols via C‒H Bond Activation ACS Catalysis, 2017, 7, 2494 |
4514063 | CIF | C30 H64 Br2 P2 Pd2 | P 1 21/c 1 | 14.191; 14.4097; 18.8529 90; 90.638; 90 | 3855 | Hu, Huaiyuan; Qu, Fengrui; Gerlach, Deidra L.; Shaughnessy, Kevin H. Mechanistic Study of the Role of Substrate Steric Effects and Aniline Inhibition on the Bis(trineopentylphosphine)palladium(0)-Catalyzed Arylation of Aniline Derivatives ACS Catalysis, 2017, 7, 2516 |
4514064 | CIF | C48 H88 Br2 Cl4 P2 Pd2 | P -1 | 9.5914; 12.2401; 13.6152 114.515; 94.093; 92.143 | 1446.66 | Hu, Huaiyuan; Qu, Fengrui; Gerlach, Deidra L.; Shaughnessy, Kevin H. Mechanistic Study of the Role of Substrate Steric Effects and Aniline Inhibition on the Bis(trineopentylphosphine)palladium(0)-Catalyzed Arylation of Aniline Derivatives ACS Catalysis, 2017, 7, 2516 |
4514071 | CIF | C25 H19 Br N2 O2 | P 21 21 21 | 9.5611; 9.7674; 44.019 90; 90; 90 | 4110.8 | Wang, Shoulei; Izquierdo, Javier; Rodríguez-Escrich, Carles; Pericàs, Miquel A. Asymmetric [4 + 2] Annulation Reactions Catalyzed by a Robust, Immobilized Isothiourea ACS Catalysis, 2017, 7, 2780 |
4514072 | CIF | C24 H17 N O2 S | P 21 21 21 | 6.2831; 10.506; 28.682 90; 90; 90 | 1893.3 | Wang, Shoulei; Izquierdo, Javier; Rodríguez-Escrich, Carles; Pericàs, Miquel A. Asymmetric [4 + 2] Annulation Reactions Catalyzed by a Robust, Immobilized Isothiourea ACS Catalysis, 2017, 7, 2780 |
4514080 | CIF | C38 H52 N2 O2 Pd | P 1 21/c 1 | 12.47076; 21.63215; 13.10657 90; 99.47; 90 | 3487.57 | Kim, Jaewoon; Hong, Soon Hyeok Ligand-Promoted Direct C‒H Arylation of Simple Arenes: Evidence for a Cooperative Bimetallic Mechanism ACS Catalysis, 2017, 7, 3336 |
4514083 | CIF | C28 H29 N O3 | P -1 | 6.3295; 12.336; 14.619 90.792; 95.813; 96.114 | 1128.8 | Esguerra, Kenneth Virgel N.; Lumb, Jean-Philip A Bioinspired Catalytic Aerobic Functionalization of Phenols: Regioselective Construction of Aromatic C‒N and C‒O Bonds ACS Catalysis, 2017, 7, 3477 |
4514084 | CIF | C33 H25 N O4 | P -1 | 9.7185; 15.9184; 15.9702 88.541; 87.598; 85.097 | 2458.84 | Esguerra, Kenneth Virgel N.; Lumb, Jean-Philip A Bioinspired Catalytic Aerobic Functionalization of Phenols: Regioselective Construction of Aromatic C‒N and C‒O Bonds ACS Catalysis, 2017, 7, 3477 |
4514085 | CIF | C34 H23 F2 N O5 | P 1 21 1 | 10.0098; 19.235; 13.3175 90; 91.572; 90 | 2563.2 | Esguerra, Kenneth Virgel N.; Lumb, Jean-Philip A Bioinspired Catalytic Aerobic Functionalization of Phenols: Regioselective Construction of Aromatic C‒N and C‒O Bonds ACS Catalysis, 2017, 7, 3477 |
4514090 | CIF | C25 H19 N O2 | P 1 21/c 1 | 4.88608; 39.9585; 9.27521 90; 91.1105; 90 | 1810.56 | Herlé, Bart; Holstein, Philipp M.; Echavarren, Antonio M. Stereoselective cis-Vinylcyclopropanation via a Gold(I)-Catalyzed Retro-Buchner Reaction under Mild Conditions. ACS catalysis, 2017, 7, 3668-3675 |
4514091 | CIF | C25 H19 N O2 | P -1 | 9.8574; 10.5363; 19.098 83.974; 85.964; 69.875 | 1850.88 | Herlé, Bart; Holstein, Philipp M.; Echavarren, Antonio M. Stereoselective cis-Vinylcyclopropanation via a Gold(I)-Catalyzed Retro-Buchner Reaction under Mild Conditions. ACS catalysis, 2017, 7, 3668-3675 |
4514096 | CIF | C12 H10 O5 | P 21 21 21 | 5.9658; 6.8587; 26.877 90; 90; 90 | 1099.74 | Ji, Jie; Lin, Lili; Tang, Qiong; Kang, Tengfei; Liu, Xiaohua; Feng, Xiaoming Highly Efficient Asymmetric Synthesis of Chiral γ-Alkenyl Butenolides Catalyzed by Chiral N,N′-Dioxide‒Scandium(III) Complexes ACS Catalysis, 2017, 7, 3763 |
4514100 | CIF | C60 H54 F18 N12 O4 P3 Ru2 | P -1 | 13.578; 13.579; 13.733 91.45; 100.63; 115.95 | 2222 | Fan, Ting; Duan, Lele; Huang, Ping; Chen, Hong; Daniel, Quentin; Ahlquist, Mårten S. G.; Sun, Licheng The Ru-tpc Water Oxidation Catalyst and Beyond: Water Nucleophilic Attack Pathway versus Radical Coupling Pathway ACS Catalysis, 2017, 7, 2956 |
4514101 | CIF | C21 H39 Cl2 Co N P2 | P -1 | 8.2698; 10.9458; 14.8705 98.19; 90.641; 110.333 | 1246.6 | Daw, Prosenjit; Chakraborty, Subrata; Leitus, Gregory; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David Selective N-Formylation of Amines with H2 and CO2 Catalyzed by Cobalt Pincer Complexes ACS Catalysis, 2017, 7, 2500 |
4514102 | CIF | C21 H39 Cl Co N P2 | P 1 21/c 1 | 14.2619; 8.3444; 19.9331 90; 96.477; 90 | 2357 | Daw, Prosenjit; Chakraborty, Subrata; Leitus, Gregory; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David Selective N-Formylation of Amines with H2 and CO2 Catalyzed by Cobalt Pincer Complexes ACS Catalysis, 2017, 7, 2500 |
4514103 | CIF | C50 H40 Cl N3 O P2 Ru | P n m a | 18.5484; 15.0463; 16.1704 90; 90; 90 | 4512.9 | Sarbajna, Abir; Dutta, Indranil; Daw, Prosenjit; Dinda, Shrabani; Rahaman, S. M. Wahidur; Sarkar, Abheek; Bera, Jitendra K. Catalytic Conversion of Alcohols to Carboxylic Acid Salts and Hydrogen with Alkaline Water ACS Catalysis, 2017, 7, 2786 |
4514104 | CIF | C54 H47 Cl5 N4 O P2 Ru | P 1 21/c 1 | 14.2935; 18.4185; 22.7313 90; 108.44; 90 | 5677.1 | Sarbajna, Abir; Dutta, Indranil; Daw, Prosenjit; Dinda, Shrabani; Rahaman, S. M. Wahidur; Sarkar, Abheek; Bera, Jitendra K. Catalytic Conversion of Alcohols to Carboxylic Acid Salts and Hydrogen with Alkaline Water ACS Catalysis, 2017, 7, 2786 |
4514105 | CIF | C59 H49 Cl5 N4 O2 P2 Ru2 | P -1 | 11.8324; 14.2246; 18.611 86.239; 84.443; 71.637 | 2956.9 | Sarbajna, Abir; Dutta, Indranil; Daw, Prosenjit; Dinda, Shrabani; Rahaman, S. M. Wahidur; Sarkar, Abheek; Bera, Jitendra K. Catalytic Conversion of Alcohols to Carboxylic Acid Salts and Hydrogen with Alkaline Water ACS Catalysis, 2017, 7, 2786 |
4514106 | CIF | C29 H20 F3 N5 O6 Ru S | P -1 | 8.4166; 11.03; 16.025 84.085; 76.9; 69.246 | 1354.52 | Kagalwala, Husain N.; Tong, Lianpeng; Zong, Ruifa; Kohler, Lars; Ahlquist, Mårten S. G.; Fan, Ting; Gagnon, Kevin J.; Thummel, Randolph P. Evidence for Oxidative Decay of a Ru-Bound Ligand during Catalyzed Water Oxidation ACS Catalysis, 2017, 7, 2607 |
4514107 | CIF | C13 H15 N O4 | P 21 21 21 | 8.8677; 10.0871; 14.1044 90; 90; 90 | 1261.63 | Tukhvatshin, Rinat S.; Kucherenko, Alexander S.; Nelyubina, Yulia V.; Zlotin, Sergei G. Tertiary Amine-Derived Ionic Liquid-Supported Squaramide as a Recyclable Organocatalyst for Noncovalent “On Water” Catalysis ACS Catalysis, 2017, 7, 2981 |
4514108 | CIF | C13 H8 Br Mn N2 O5 | P b a m | 17.7576; 12.9229; 12.7518 90; 90; 90 | 2926.3 | Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R. Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide ACS Catalysis, 2017, 7, 3864 |
4514109 | CIF | C15 H12 Br Mn N2 O5 | P 1 21/n 1 | 8.1795; 16.3907; 11.9305 90; 90.478; 90 | 1599.44 | Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R. Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide ACS Catalysis, 2017, 7, 3864 |
4514110 | CIF | C13 H10 Br Mn N4 O3 | P 1 21/n 1 | 7.5829; 9.6475; 20.0238 90; 93.812; 90 | 1461.62 | Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R. Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide ACS Catalysis, 2017, 7, 3864 |
4514111 | CIF | C16 H11 F3 Mn N3 O8 S | P -1 | 8.9121; 12.7125; 17.6682 84.4838; 86.3815; 83.4002 | 1976.5 | Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R. Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide ACS Catalysis, 2017, 7, 3864 |
4514112 | CIF | C18 H15 F3 Mn N3 O8 S | P 1 21/c 1 | 8.19264; 11.4621; 23.0399 90; 92.2861; 90 | 2161.84 | Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R. Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide ACS Catalysis, 2017, 7, 3864 |
4514115 | CIF | C44 H61 N O10 S Si | P 1 21 1 | 9.04501; 9.77593; 25.19795 90; 92.5278; 90 | 2225.92 | Liao, Yuting; Zhou, Baixin; Xia, Yong; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming Asymmetric [3 + 2] Cycloaddition of 2,2′-Diester Aziridines To Synthesize Pyrrolidine Derivatives ACS Catalysis, 2017, 7, 3934 |
4514118 | CIF | C20 H24 Cl N O2 S | P 1 21/c 1 | 9.5931; 12.8055; 15.6673 90; 102.15; 90 | 1881.53 | Zhang, Hongwei; Muñiz, Kilian Selective Piperidine Synthesis Exploiting Iodine-Catalyzed Csp3‒H Amination under Visible Light ACS Catalysis, 2017, 7, 4122 |
4514119 | CIF | C19 H22 N2 O4 S | P b c n | 16.4786; 7.779; 28.3488 90; 90; 90 | 3633.9 | Zhang, Hongwei; Muñiz, Kilian Selective Piperidine Synthesis Exploiting Iodine-Catalyzed Csp3‒H Amination under Visible Light ACS Catalysis, 2017, 7, 4122 |
4514120 | CIF | C25 H18 | P 1 21/c 1 | 13.316; 20.47; 6.2779 90; 101.369; 90 | 1677.6 | Yu, Liu-Zhu; Wei, Yin; Shi, Min Synthesis of Polysubstituted Polycyclic Aromatic Hydrocarbons by Gold-Catalyzed Cyclization‒Oxidation of Alkylidenecyclopropane-Containing 1,5-Enynes ACS Catalysis, 2017, 7, 4242 |
4514121 | CIF | C24 H17 Cl O | P -1 | 9.3854; 9.6615; 11.064 87.814; 68.304; 85.999 | 929.8 | Yu, Liu-Zhu; Wei, Yin; Shi, Min Synthesis of Polysubstituted Polycyclic Aromatic Hydrocarbons by Gold-Catalyzed Cyclization‒Oxidation of Alkylidenecyclopropane-Containing 1,5-Enynes ACS Catalysis, 2017, 7, 4242 |
4514122 | CIF | C22 H16 S | P -1 | 4.9712; 11.992; 27.578 79.676; 84.855; 78.156 | 1580.6 | Yu, Liu-Zhu; Wei, Yin; Shi, Min Synthesis of Polysubstituted Polycyclic Aromatic Hydrocarbons by Gold-Catalyzed Cyclization‒Oxidation of Alkylidenecyclopropane-Containing 1,5-Enynes ACS Catalysis, 2017, 7, 4242 |
4514136 | CIF | C19 H27 Cl N3 O P Ru | P b c a | 8.539; 15.0653; 32.9272 90; 90; 90 | 4235.84 | Li, Huaifeng; Wang, Yuan; Lai, Zhiping; Huang, Kuo-Wei Selective Catalytic Hydrogenation of Arenols by a Well-Defined Complex of Ruthenium and Phosphorus‒Nitrogen PN3‒Pincer Ligand Containing a Phenanthroline Backbone ACS Catalysis, 2017, 7, 4446 |
4514137 | CIF | C22 H31 Cl N3 O2 P Ru | P 1 21/c 1 | 8.4904; 16.3262; 17.4261 90; 97.79; 90 | 2393.24 | Li, Huaifeng; Wang, Yuan; Lai, Zhiping; Huang, Kuo-Wei Selective Catalytic Hydrogenation of Arenols by a Well-Defined Complex of Ruthenium and Phosphorus‒Nitrogen PN3‒Pincer Ligand Containing a Phenanthroline Backbone ACS Catalysis, 2017, 7, 4446 |
4514139 | CIF | C28 H28 N2 O6 S | P 1 21 1 | 14.93; 11.5659; 15.258 90; 101.808; 90 | 2579 | Claraz, Aurélie; Serpier, Fabien; Darses, Sylvain Organoboron Initiated Rh-Catalyzed Asymmetric Cascade Reactions: A Subtle Switch in Regioselectivity Leading to Chiral 3-Benzazepine Derivatives ACS Catalysis, 2017, 7, 3410 |
4514140 | CIF | C42 H30 F6 N2 O4 | P 21 21 21 | 8.8643; 17.5771; 22.5359 90; 90; 90 | 3511.3 | Yang, Wenjun; Sun, Wei; Zhang, Cheng; Wang, Qijun; Guo, Zhenyan; Mao, Biming; Liao, Jianning; Guo, Hongchao Lewis-Base-Catalyzed Asymmetric [3 + 3] Annulation Reaction of Morita‒Baylis‒Hillman Carbonates: Enantioselective Synthesis of Spirocyclohexenes ACS Catalysis, 2017, 7, 3142 |
4514141 | CIF | C18 H18 | P 1 21 1 | 9.035; 5.7594; 13.277 90; 100.891; 90 | 678.4 | Herlé, Bart; Holstein, Philipp M.; Echavarren, Antonio M. Stereoselective cis-Vinylcyclopropanation via a Gold(I)-Catalyzed Retro-Buchner Reaction under Mild Conditions. ACS catalysis, 2017, 7, 3668-3675 |
4514142 | CIF | C21 H27 N O2 S | P 1 21/n 1 | 11.6983; 13.0767; 13.6557 90; 114.637; 90 | 1898.82 | Zhang, Hongwei; Muñiz, Kilian Selective Piperidine Synthesis Exploiting Iodine-Catalyzed Csp3‒H Amination under Visible Light ACS Catalysis, 2017, 7, 4122 |
4514143 | CIF | C19 H21 N O2 S | P 1 21/c 1 | 10.2375; 9.4009; 16.6135 90; 98.412; 90 | 1581.71 | Zhang, Hongwei; Muñiz, Kilian Selective Piperidine Synthesis Exploiting Iodine-Catalyzed Csp3‒H Amination under Visible Light ACS Catalysis, 2017, 7, 4122 |
4514154 | CIF | C16 H11 F5 N3 O7 V | P -1 | 7.8153; 11.0933; 11.0932 78.955; 85.104; 77.783 | 921.55 | Gazi, Sarifuddin; Đokić, Miloš; Moeljadi, Adhitya Mangala Putra; Ganguly, Rakesh; Hirao, Hajime; Soo, Han Sen Kinetics and DFT Studies of Photoredox Carbon‒Carbon Bond Cleavage Reactions by Molecular Vanadium Catalysts under Ambient Conditions ACS Catalysis, 2017, 7, 4682 |
4514158 | CIF | C14 H13 Cl3 O4 | P 1 21 1 | 7.1346; 14.8376; 15.0064 90; 98.492; 90 | 1571.17 | Cruchter, Thomas; Medvedev, Michael G.; Shen, Xiaodong; Mietke, Thomas; Harms, Klaus; Marsch, Michael; Meggers, Eric Asymmetric Nucleophilic Catalysis with an Octahedral Chiral-at-Metal Iridium(III) Complex ACS Catalysis, 2017, 7, 5151 |
4514159 | CIF | C22 H38 Si2 | P 1 21/n 1 | 8.809; 15.299; 16.461 90; 93.573; 90 | 2214.1 | Chen, Jiazhen; Gao, Yanshan; Xiong, Shuoyan; Delferro, Massimiliano; Lohr, Tracy L.; Marks, Tobin J. Metal and Counteranion Nuclearity Effects in Organoscandium-Catalyzed Isoprene Polymerization and Copolymerization ACS Catalysis, 2017, 7, 5214 |
4514160 | CIF | C48 H100 O2 Sc2 Si6 | P 1 21/c 1 | 14.3075; 24.95; 17.0373 90; 98.009; 90 | 6022.5 | Chen, Jiazhen; Gao, Yanshan; Xiong, Shuoyan; Delferro, Massimiliano; Lohr, Tracy L.; Marks, Tobin J. Metal and Counteranion Nuclearity Effects in Organoscandium-Catalyzed Isoprene Polymerization and Copolymerization ACS Catalysis, 2017, 7, 5214 |
4514164 | CIF | C55 H44 Cl2 N2 O4 | C 1 2 1 | 22.1203; 7.6123; 16.3803 90; 127.077; 90 | 2200.58 | He, Congfa; Hou, Mengqing; Zhu, Zixi; Gu, Zhenhua Enantioselective Synthesis of Indole-Based Biaryl Atropisomers via Palladium-Catalyzed Dynamic Kinetic Intramolecular C‒H Cyclization ACS Catalysis, 2017, 7, 5316 |
4514166 | CIF | C9 H14 O4 | P -4 21 c | 12.8527; 12.8527; 10.7921 90; 90; 90 | 1782.77 | Laserna, Victor; Martin, Eddy; Escudero-Adán, Eduardo C.; Kleij, Arjan W. Substrate-Triggered Stereoselective Preparation of Highly Substituted Organic Carbonates ACS Catalysis, 2017, 7, 5478 |
4514167 | CIF | C7 H10 O4 | P 1 21/n 1 | 6.5169; 11.8049; 9.5214 90; 105.261; 90 | 706.66 | Laserna, Victor; Martin, Eddy; Escudero-Adán, Eduardo C.; Kleij, Arjan W. Substrate-Triggered Stereoselective Preparation of Highly Substituted Organic Carbonates ACS Catalysis, 2017, 7, 5478 |
4514168 | CIF | C7 H10 O4 | P 1 21/n 1 | 8.3814; 7.0296; 12.3499 90; 96.2862; 90 | 723.26 | Laserna, Victor; Martin, Eddy; Escudero-Adán, Eduardo C.; Kleij, Arjan W. Substrate-Triggered Stereoselective Preparation of Highly Substituted Organic Carbonates ACS Catalysis, 2017, 7, 5478 |
4514169 | CIF | C42 H29 Cl F6 N2 O3 | P 21 21 21 | 8.9232; 17.371; 23.537 90; 90; 90 | 3648.4 | Yang, Wenjun; Sun, Wei; Zhang, Cheng; Wang, Qijun; Guo, Zhenyan; Mao, Biming; Liao, Jianning; Guo, Hongchao Lewis-Base-Catalyzed Asymmetric [3 + 3] Annulation Reaction of Morita‒Baylis‒Hillman Carbonates: Enantioselective Synthesis of Spirocyclohexenes ACS Catalysis, 2017, 7, 3142 |
4514173 | CIF | C55.5 H71 O10.5 Rh2 | P 1 21/n 1 | 16.2948; 17.0253; 20.361 90; 103.07; 90 | 5502.3 | Chen, Po-An; Setthakarn, Krit; May, Jeremy A. A Binaphthyl-Based Scaffold for a Chiral Dirhodium(II) Biscarboxylate Ligand with α-Quaternary Carbon Centers ACS Catalysis, 2017, 7, 6155 |
4514183 | CIF | C46 H96 O2 Sc2 Si6 | P 1 21/n 1 | 18.2889; 18.1841; 18.6875 90; 111.842; 90 | 5768.7 | Chen, Jiazhen; Gao, Yanshan; Xiong, Shuoyan; Delferro, Massimiliano; Lohr, Tracy L.; Marks, Tobin J. Metal and Counteranion Nuclearity Effects in Organoscandium-Catalyzed Isoprene Polymerization and Copolymerization ACS Catalysis, 2017, 7, 5214 |
4514184 | CIF | C19 H12 Au Cl0.25 F6 N O4 | P 1 2/n 1 | 29.449; 4.6494; 29.503 90; 103.649; 90 | 3925.5 | Holmsen, Marte Sofie Martinsen; Nova, Ainara; Balcells, David; Langseth, Eirin; Øien-Ødegaard, Sigurd; Heyn, Richard H.; Tilset, Mats; Laurenczy, Gábor trans-Mutation at Gold(III): A Mechanistic Study of a Catalytic Acetylene Functionalization via a Double Insertion Pathway ACS Catalysis, 2017, 7, 5023 |
4514185 | CIF | C25 H21 O P | P -1 | 9.8901; 10.4204; 12.056 68.572; 85.149; 69.897 | 1084.9 | Toda, Yasunori; Sakamoto, Tomoyuki; Komiyama, Yutaka; Kikuchi, Ayaka; Suga, Hiroyuki A Phosphonium Ylide as an Ionic Nucleophilic Catalyst for Primary Hydroxyl Group Selective Acylation of Diols ACS Catalysis, 2017, 7, 6150 |
4514187 | CIF | C22 H23 N O | P b c a | 15.4176; 11.3505; 20.247 90; 90; 90 | 3543.2 | Li, Yang; Hu, Ming; Li, Jin-Heng Silver-Catalyzed Intermolecular [3 + 2]/[5 + 2] Annulation of N-Arylpropiolamides with Vinyl Acids: Facile Synthesis of Fused 2H-Benzo[b]azepin-2-ones ACS Catalysis, 2017, 7, 6757 |
4514188 | CIF | C18 H20 N2 O2 | P -1 | 6.3768; 10.567; 11.5596 108.484; 92.159; 106.084 | 703.06 | Mampuys, Pieter; Neumann, Helfried; Sergeyev, Sergey; Orru, Romano V. A.; Jiao, Haijun; Spannenberg, Anke; Maes, Bert U. W.; Beller, Matthias Combining Isocyanides with Carbon Dioxide in Palladium-Catalyzed Heterocycle Synthesis: N3-Substituted Quinazoline-2,4(1H,3H)-diones via a Three-Component Reaction ACS Catalysis, 2017, 7, 5549 |
4514189 | CIF | C16 H22 N2 O2 | P -1 | 10.3381; 12.1298; 12.7543 98.7084; 97.6979; 101.969 | 1523.79 | Mampuys, Pieter; Neumann, Helfried; Sergeyev, Sergey; Orru, Romano V. A.; Jiao, Haijun; Spannenberg, Anke; Maes, Bert U. W.; Beller, Matthias Combining Isocyanides with Carbon Dioxide in Palladium-Catalyzed Heterocycle Synthesis: N3-Substituted Quinazoline-2,4(1H,3H)-diones via a Three-Component Reaction ACS Catalysis, 2017, 7, 5549 |
4514190 | CIF | C27 H52 Cl N O P4 W | P 1 21/n 1 | 13.5317; 16.7932; 14.6934 90; 95.148; 90 | 3325.5 | Rudshteyn, Benjamin; Vibbert, Hunter B.; May, Richard; Wasserman, Eric; Warnke, Ingolf; Hopkins, Michael D.; Batista, Victor S. Thermodynamic and Structural Factors That Influence the Redox Potentials of Tungsten‒Alkylidyne Complexes ACS Catalysis, 2017, 7, 6134 |
4514193 | CIF | C37.21 H40.41 Cl2.41 Cu I N6 | P 21 21 21 | 16.9652; 19.7318; 24.8974 90; 90; 90 | 8334.5 | Wan, Kai Y.; Sung, Molly M. H.; Lough, Alan J.; Morris, Robert H. Half-Sandwich Ruthenium Catalyst Bearing an Enantiopure Primary Amine Tethered to an N-Heterocyclic Carbene for Ketone Hydrogenation ACS Catalysis, 2017, 7, 6827 |
4514194 | CIF | C43 H43 Cl Ni P2 | P 1 21/n 1 | 12.3832; 17.1052; 17.3844 90; 106.111; 90 | 3537.7 | Mifleur, Alexis; Mérel, Delphine S.; Mortreux, André; Suisse, Isabelle; Capet, Frédéric; Trivelli, Xavier; Sauthier, Mathieu; Macgregor, Stuart A. Deciphering the Mechanism of the Nickel-Catalyzed Hydroalkoxylation Reaction: A Combined Experimental and Computational Study ACS Catalysis, 2017, 7, 6915 |
4514195 | CIF | C32 H35 Cl Ni P2 | P -1 | 10.3622; 11.0841; 13.1883 100.947; 102.623; 105.014 | 1377.98 | Mifleur, Alexis; Mérel, Delphine S.; Mortreux, André; Suisse, Isabelle; Capet, Frédéric; Trivelli, Xavier; Sauthier, Mathieu; Macgregor, Stuart A. Deciphering the Mechanism of the Nickel-Catalyzed Hydroalkoxylation Reaction: A Combined Experimental and Computational Study ACS Catalysis, 2017, 7, 6915 |
4514196 | CIF | C39 H52 Hf N2 | P -1 | 9.1605; 12.4145; 15.8667 91.003; 105.64; 97.611 | 1719.61 | Domski, Gregory J.; Eagan, James M.; De Rosa, Claudio; Di Girolamo, Rocco; LaPointe, Anne M.; Lobkovsky, Emil B.; Talarico, Giovanni; Coates, Geoffrey W. Combined Experimental and Theoretical Approach for Living and Isoselective Propylene Polymerization ACS Catalysis, 2017, 7, 6930 |
4514197 | CIF | C28 H36 Hf N2 | P 1 21/n 1 | 10.3324; 14.8323; 16.0844 90; 97.923; 90 | 2441.5 | Domski, Gregory J.; Eagan, James M.; De Rosa, Claudio; Di Girolamo, Rocco; LaPointe, Anne M.; Lobkovsky, Emil B.; Talarico, Giovanni; Coates, Geoffrey W. Combined Experimental and Theoretical Approach for Living and Isoselective Propylene Polymerization ACS Catalysis, 2017, 7, 6930 |
4514198 | CIF | C33 H40 Hf N2 | P -1 | 11.0762; 11.953; 12.8362 79.555; 66.82; 67.872 | 1446.09 | Domski, Gregory J.; Eagan, James M.; De Rosa, Claudio; Di Girolamo, Rocco; LaPointe, Anne M.; Lobkovsky, Emil B.; Talarico, Giovanni; Coates, Geoffrey W. Combined Experimental and Theoretical Approach for Living and Isoselective Propylene Polymerization ACS Catalysis, 2017, 7, 6930 |
4514199 | CIF | C32 H38 Hf N2 | P -1 | 9.6947; 12.8143; 22.3108 91.516; 95.983; 93.882 | 2748.7 | Domski, Gregory J.; Eagan, James M.; De Rosa, Claudio; Di Girolamo, Rocco; LaPointe, Anne M.; Lobkovsky, Emil B.; Talarico, Giovanni; Coates, Geoffrey W. Combined Experimental and Theoretical Approach for Living and Isoselective Propylene Polymerization ACS Catalysis, 2017, 7, 6930 |
4514200 | CIF | C32 H36 Hf N2 | P -1 | 9.3898; 10.7845; 13.8529 87.005; 78.576; 86.78 | 1371.63 | Domski, Gregory J.; Eagan, James M.; De Rosa, Claudio; Di Girolamo, Rocco; LaPointe, Anne M.; Lobkovsky, Emil B.; Talarico, Giovanni; Coates, Geoffrey W. Combined Experimental and Theoretical Approach for Living and Isoselective Propylene Polymerization ACS Catalysis, 2017, 7, 6930 |
4514201 | CIF | C30 H30 Br N3 O4 | P 21 21 21 | 8.2547; 11.7633; 28.9888 90; 90; 90 | 2814.89 | Jiang, Fei; Zhao, Dan; Yang, Xue; Yuan, Fu-Ru; Mei, Guang-Jian; Shi, Feng Catalyst-Controlled Chemoselective and Enantioselective Reactions of Tryptophols with Isatin-Derived Imines ACS Catalysis, 2017, 7, 6984 |
4514202 | CIF | C30 H30 Cl N3 O4 | P -1 | 9.6201; 10.3131; 14.6525 78.547; 72.894; 89.686 | 1359.6 | Jiang, Fei; Zhao, Dan; Yang, Xue; Yuan, Fu-Ru; Mei, Guang-Jian; Shi, Feng Catalyst-Controlled Chemoselective and Enantioselective Reactions of Tryptophols with Isatin-Derived Imines ACS Catalysis, 2017, 7, 6984 |
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