Crystallography Open Database
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Searching journal of publication like 'ACS Catalysis' volume of publication is 6
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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4513735 | CIF | C29 H32 N2 O2 | P 1 21/n 1 | 8.6895; 9.8563; 30.266 90; 94.399; 90 | 2584.5 | Kuai, Changsheng; Wang, Lianhui; Cui, Haoyi; Shen, Jinhai; Feng, Yadong; Cui, Xiuling Efficient and Selective Synthesis of (E)-Enamides via Ru(II)-Catalyzed Hydroamidation of Internal Alkynes ACS Catalysis, 2016, 6, 186 |
4513736 | CIF | C23 H20 N2 O | P 1 21/n 1 | 12.864; 9.812; 13.652 90; 92.938; 90 | 1720.9 | Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization ACS Catalysis, 2016, 6, 451 |
4513737 | CIF | C18 H11 F5 N2 O2 | P 1 21/c 1 | 11.342; 6.528; 21.294 90; 95.503; 90 | 1569.4 | Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization ACS Catalysis, 2016, 6, 451 |
4513738 | CIF | C21 H21 N3 | P -1 | 7.784; 10.507; 11.117 106.154; 96.466; 97.82 | 854.3 | Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization ACS Catalysis, 2016, 6, 451 |
4513739 | CIF | C25 H19 F N2 O2 | P 1 21/n 1 | 12.243; 7.246; 21.867 90; 105.022; 90 | 1873.6 | Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization ACS Catalysis, 2016, 6, 451 |
4513740 | CIF | C18 H15 Br N2 O2 | P 1 21/n 1 | 10.221; 6.258; 24.249 90; 97.531; 90 | 1537.7 | Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization ACS Catalysis, 2016, 6, 451 |
4513741 | CIF | C25.57 H21.14 Cl1.13 N2 O2 | P 1 21 1 | 12.2626; 7.2788; 12.3394 90; 104.51; 90 | 1066.25 | Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization ACS Catalysis, 2016, 6, 451 |
4513742 | CIF | C20 H18 N2 O2 | P 1 c 1 | 5.238; 12.589; 11.597 90; 91.334; 90 | 764.5 | Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization ACS Catalysis, 2016, 6, 451 |
4513743 | CIF | C18 H14 Br N3 | P 1 21/c 1 | 8.6369; 26.751; 6.9978 90; 106.79; 90 | 1547.89 | Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization ACS Catalysis, 2016, 6, 451 |
4513744 | CIF | C19 H18 N2 O2 | P 1 21/c 1 | 9.882; 36.918; 8.62 90; 99.99; 90 | 3097.1 | Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization ACS Catalysis, 2016, 6, 451 |
4513745 | CIF | C26 H22 N2 O3 | P 1 21/n 1 | 12.352; 7.361; 22.122 90; 98.421; 90 | 1989.7 | Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization ACS Catalysis, 2016, 6, 451 |
4513746 | CIF | C20 H18 N2 O2 | P 1 21 1 | 11.035; 6.9; 11.373 90; 115.012; 90 | 784.75 | Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization ACS Catalysis, 2016, 6, 451 |
4513747 | CIF | C22 H13 F5 N4 O2 | P 1 21 1 | 7.91984; 7.77745; 16.8551 90; 101.445; 90 | 1017.57 | Xu, Yali; Liao, Yuting; Lin, Lili; Zhou, Yuhang; Li, Jun; Liu, Xiaohua; Feng, Xiaoming Catalytic Asymmetric Inverse-Electron Demand 1,3-Dipolar Cycloaddition of Isoquinolinium Methylides with Enecarbamates by a ChiralN,N′-Dioxide/Ag(I) Complex ACS Catalysis, 2016, 6, 589 |
4513748 | CIF | C23.73 H18.45 Cl0.7 N O3.12 S | P 21 21 2 | 9.7227; 23.8357; 8.7364 90; 90; 90 | 2024.6 | Izquierdo, Javier; Pericàs, Miquel A. A Recyclable, Immobilized Analogue of Benzotetramisole for Catalytic Enantioselective Domino Michael Addition/Cyclization Reactions in Batch and Flow ACS Catalysis, 2016, 6, 348 |
4513749 | CIF | C30 H25 N O3 S | P 1 21 1 | 5.9234; 17.5385; 11.7578 90; 95.5438; 90 | 1215.78 | Izquierdo, Javier; Pericàs, Miquel A. A Recyclable, Immobilized Analogue of Benzotetramisole for Catalytic Enantioselective Domino Michael Addition/Cyclization Reactions in Batch and Flow ACS Catalysis, 2016, 6, 348 |
4513750 | CIF | C19 H16 N2 O S | P 21 21 21 | 9.8811; 10.2565; 15.4749 90; 90; 90 | 1568.31 | Izquierdo, Javier; Pericàs, Miquel A. A Recyclable, Immobilized Analogue of Benzotetramisole for Catalytic Enantioselective Domino Michael Addition/Cyclization Reactions in Batch and Flow ACS Catalysis, 2016, 6, 348 |
4513751 | CIF | C22 H19 F N2 O | P b c a | 13.5231; 13.1489; 19.3467 90; 90; 90 | 3440.1 | Hiramatsu, Kenichi; Honjo, Takashi; Rauniyar, Vivek; Toste, F. Dean Enantioselective Synthesis of Fluoro-Dihydroquinazolones and -Benzooxazinones by Fluorination-Initiated Asymmetric Cyclization Reactions. ACS catalysis, 2015, 6, 151-154 |
4513752 | CIF | C12 H15 F N2 O | P 1 21 1 | 7.6084; 6.4312; 11.7689 90; 103.627; 90 | 559.66 | Hiramatsu, Kenichi; Honjo, Takashi; Rauniyar, Vivek; Toste, F. Dean Enantioselective Synthesis of Fluoro-Dihydroquinazolones and -Benzooxazinones by Fluorination-Initiated Asymmetric Cyclization Reactions. ACS catalysis, 2015, 6, 151-154 |
4513753 | CIF | C13 H4 F5 N S | P 1 21/c 1 | 14.407; 7.3079; 11.1275 90; 109.808; 90 | 1102.24 | Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis ACS Catalysis, 2016, 6, 369 |
4513754 | CIF | C12 H6 F4 | P 1 21/c 1 | 12.8062; 5.84755; 12.6869 90; 105.223; 90 | 916.72 | Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis ACS Catalysis, 2016, 6, 369 |
4513755 | CIF | C13 H5 F7 | P 21 21 21 | 5.92801; 7.5738; 23.6364 90; 90; 90 | 1061.22 | Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis ACS Catalysis, 2016, 6, 369 |
4513756 | CIF | C12 H5 F5 | C 2 2 21 | 5.80768; 20.9642; 7.68611 90; 90; 90 | 935.81 | Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis ACS Catalysis, 2016, 6, 369 |
4513757 | CIF | C37 H40 Br N O3 | P 21 21 21 | 10.038; 15.921; 20.131 90; 90; 90 | 3217.2 | He, Fu-Sheng; Jin, Jing-Hai; Yang, Zhong-Tao; Yu, Xingxin; Fossey, John S.; Deng, Wei-Ping Direct Asymmetric Synthesis of β-Bis-Aryl-α-Amino Acid Esters via Enantioselective Copper-Catalyzed Addition ofp-Quinone Methides ACS Catalysis, 2016, 6, 652 |
4513758 | CIF | C22 H20 F3 N O | P b c a | 19.0615; 9.325; 20.7194 90; 90; 90 | 3682.8 | Yu, Liu-Zhu; Xu, Qin; Tang, Xiang-Yiang; Shi, Min Iron- or Copper-Catalyzed Trifluoromethylation of Acrylamide-Tethered Alkylidenecyclopropanes: Facile Synthesis of CF3-Containing Polycyclic Benzazepine Derivatives ACS Catalysis, 2016, 6, 526 |
4513759 | CIF | C36 H44 Er N O Si2 | P 1 21/c 1 | 16.5508; 9.9149; 20.9543 90; 100.391; 90 | 3382.2 | Lin, Fei; Wang, Xingbao; Pan, Yupeng; Wang, Meiyan; Liu, Bo; Luo, Yi; Cui, Dongmei Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization ACS Catalysis, 2016, 6, 176 |
4513760 | CIF | C36 H44 Gd N O Si2 | P 1 21/c 1 | 16.5847; 9.9933; 21.0068 90; 100.271; 90 | 3425.8 | Lin, Fei; Wang, Xingbao; Pan, Yupeng; Wang, Meiyan; Liu, Bo; Luo, Yi; Cui, Dongmei Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization ACS Catalysis, 2016, 6, 176 |
4513761 | CIF | C36 H44 N Nd O Si2 | P 1 21/c 1 | 16.5572; 10.0221; 21.0296 90; 100.37; 90 | 3432.6 | Lin, Fei; Wang, Xingbao; Pan, Yupeng; Wang, Meiyan; Liu, Bo; Luo, Yi; Cui, Dongmei Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization ACS Catalysis, 2016, 6, 176 |
4513762 | CIF | C31 H44 N O Pr Si2 | P 1 21/c 1 | 14.6913; 11.3369; 19.4321 90; 95.729; 90 | 3220.3 | Lin, Fei; Wang, Xingbao; Pan, Yupeng; Wang, Meiyan; Liu, Bo; Luo, Yi; Cui, Dongmei Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization ACS Catalysis, 2016, 6, 176 |
4513779 | CIF | C18 H22 Cl N3 Ni | P 1 21/c 1 | 17.067; 10.4806; 18.8193 90; 95.005; 90 | 3353.4 | Perez Garcia, Pablo M.; Di Franco, Thomas; Epenoy, Alexandre; Scopelliti, Rosario; Hu, Xile From Dimethylamine to Pyrrolidine: The Development of an Improved Nickel Pincer Complex for Cross-Coupling of Nonactivated Secondary Alkyl Halides ACS Catalysis, 2016, 6, 258 |
4513780 | CIF | C15 H13 Br N2 O3 S | P 1 | 8.9143; 10.0383; 10.4508 106.994; 96.214; 108.761 | 825.44 | Li, Yi; Yu, Yue-Na; Xu, Ming-Hua Simple Open-Chain Phosphite-Olefin as Ligand for Rh-Catalyzed Asymmetric Arylation of Cyclic Ketimines: Enantioselective Access to gem-Diaryl α-Amino Acid Derivatives ACS Catalysis, 2016, 6, 661 |
4513781 | CIF | C14 H13 N3 | P b c a | 6.9469; 15.845; 20.914 90; 90; 90 | 2302.1 | Zhou, Xukai; Yu, Songjie; Kong, Lingheng; Li, Xingwei Rhodium(III)-Catalyzed Coupling of Arenes with Cyclopropanols via C‒H Activation and Ring Opening ACS Catalysis, 2016, 6, 647 |
4513782 | CIF | C46 H45 B Cl F4 Fe N2 O P2 | P 21 21 2 | 18.2664; 21.4148; 10.4443 90; 90; 90 | 4085.5 | Zuo, Weiwei; Prokopchuk, Demyan E.; Lough, Alan J.; Morris, Robert H. Details of the Mechanism of the Asymmetric Transfer Hydrogenation of Acetophenone Using the Amine(imine)diphosphine Iron Precatalyst: The Base Effect and The Enantiodetermining Step ACS Catalysis, 2016, 6, 301 |
4513783 | CIF | C45 H43 Cl Fe N2 O P2 | P 21 21 21 | 11.0847; 13.0101; 27.0865 90; 90; 90 | 3906.2 | Zuo, Weiwei; Prokopchuk, Demyan E.; Lough, Alan J.; Morris, Robert H. Details of the Mechanism of the Asymmetric Transfer Hydrogenation of Acetophenone Using the Amine(imine)diphosphine Iron Precatalyst: The Base Effect and The Enantiodetermining Step ACS Catalysis, 2016, 6, 301 |
4513784 | CIF | C27 H38 B Br O3 | P 32 2 1 | 13.3911; 13.3911; 26.1903 90; 90; 120 | 4067.28 | Jarava-Barrera, Carlos; Parra, Alejandro; López, Aurora; Cruz-Acosta, Fabio; Collado-Sanz, Daniel; Cárdenas, Diego J; Tortosa, Mariola Copper-Catalyzed Borylative Aromatization of p-Quinone Methides: Enantioselective Synthesis of Dibenzylic Boronates. ACS catalysis, 2016, 6, 442-446 |
4513793 | CIF | C43 H44 O5.5 P | P 1 21 1 | 15.3957; 31.578; 17.2918 90; 111.265; 90 | 7834.3 | Momiyama, Norie; Funayama, Kosuke; Noda, Hirofumi; Yamanaka, Masahiro; Akasaka, Naohiko; Ishida, Shintaro; Iwamoto, Takeaki; Terada, Masahiro Hydrogen Bonds-Enabled Design of aC1-Symmetric Chiral Brønsted Acid Catalyst ACS Catalysis, 2016, 6, 949 |
4513794 | CIF | C112 H91 F12 N O16 P4 | P 31 2 1 | 24.1287; 24.1287; 33.801 90; 90; 120 | 17042.3 | Momiyama, Norie; Funayama, Kosuke; Noda, Hirofumi; Yamanaka, Masahiro; Akasaka, Naohiko; Ishida, Shintaro; Iwamoto, Takeaki; Terada, Masahiro Hydrogen Bonds-Enabled Design of aC1-Symmetric Chiral Brønsted Acid Catalyst ACS Catalysis, 2016, 6, 949 |
4513795 | CIF | C18 H19 N3 O3 | P 1 21/n 1 | 10.383; 10.981; 14.706 90; 106.941; 90 | 1604 | Zeng, Rong; Chen, Peng-Hao; Dong, Guangbin Efficient Benzimidazolidinone Synthesis via Rhodium-Catalyzed Double-Decarbonylative C-C Activation/Cycloaddition between Isatins and Isocyanates. ACS catalysis, 2016, 6, 969-973 |
4513796 | CIF | C20 H16 F N3 O | P 1 21/c 1 | 13.206; 7.219; 17.366 90; 102.062; 90 | 1619 | Zeng, Rong; Chen, Peng-Hao; Dong, Guangbin Efficient Benzimidazolidinone Synthesis via Rhodium-Catalyzed Double-Decarbonylative C-C Activation/Cycloaddition between Isatins and Isocyanates. ACS catalysis, 2016, 6, 969-973 |
4513797 | CIF | C24 H34 F6 Mn N4 O8 S2 | P 1 21/c 1 | 18.0992; 9.65395; 19.7948 90; 110.024; 90 | 3249.64 | Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P. Enantioselective Epoxidations of Olefins with Various Oxidants on Bioinspired Mn Complexes: Evidence for Different Mechanisms and Chiral Additive Amplification ACS Catalysis, 2016, 6, 979 |
4513798 | CIF | C18 H10 F3 N O2 | P 1 21/n 1 | 7.3858; 11.7473; 16.1486 90; 97.962; 90 | 1387.6 | Yao, Ruwei; Rong, Guangwei; Yan, Bin; Qiu, Lihua; Xu, Xinfang Dual-Functionalization of Alkynes via Copper-Catalyzed Carbene/Alkyne Metathesis: A Direct Access to the 4-Carboxyl Quinolines ACS Catalysis, 2016, 6, 1024 |
4513799 | CIF | C22 H13 N O2 | P 1 21/c 1 | 6.1061; 22.232; 11.7017 90; 95.582; 90 | 1581 | Yao, Ruwei; Rong, Guangwei; Yan, Bin; Qiu, Lihua; Xu, Xinfang Dual-Functionalization of Alkynes via Copper-Catalyzed Carbene/Alkyne Metathesis: A Direct Access to the 4-Carboxyl Quinolines ACS Catalysis, 2016, 6, 1024 |
4513801 | CIF | C23 H21 F2 N O | P 1 21 1 | 11.6562; 21.5144; 16.1302 90; 102.368; 90 | 3951.19 | Momiyama, Norie; Okamoto, Hiroshi; Kikuchi, Jun; Korenaga, Toshinobu; Terada, Masahiro Perfluorinated Aryls in the Design of Chiral Brønsted Acid Catalysts: Catalysis of Enantioselective [4 + 2] Cycloadditions and Ene Reactions of Imines with Alkenes by Chiral Mono-Phosphoric Acids with Perfluoroaryls ACS Catalysis, 2016, 6, 1198 |
4513802 | CIF | C30 H41 Al Br2 N2 O3 | P 1 21/n 1 | 11.4113; 21.0276; 12.5491 90; 93.583; 90 | 3005.3 | Marlier, Elodie E.; Macaranas, Joahanna A.; Marell, Daniel J.; Dunbar, Christine R.; Johnson, Michelle A.; DePorre, Yvonne; Miranda, Maria O.; Neisen, Benjamin D.; Cramer, Christopher J.; Hillmyer, Marc A.; Tolman, William B. Mechanistic Studies of ε-Caprolactone Polymerization by (salen)AlOR Complexes and a Predictive Model for Cyclic Ester Polymerizations. ACS catalysis, 2016, 6, 1215-1224 |
4513803 | CIF | C42 H40 N2 O P2 Ru | P 1 21/c 1 | 9.894; 19.922; 22.901 90; 103.78; 90 | 4384.1 | Pan, Bing; Liu, Bo; Yue, Erlin; Liu, Qingbin; Yang, Xinzheng; Wang, Zheng; Sun, Wen-Hua A Ruthenium Catalyst with Unprecedented Effectiveness for the Coupling Cyclization of γ-Amino Alcohols and Secondary Alcohols ACS Catalysis, 2016, 6, 1247 |
4513804 | CIF | C10 H15 N O | P 21 21 21 | 6.8744; 8.6699; 15.729 90; 90; 90 | 937.5 | Pan, Bing; Liu, Bo; Yue, Erlin; Liu, Qingbin; Yang, Xinzheng; Wang, Zheng; Sun, Wen-Hua A Ruthenium Catalyst with Unprecedented Effectiveness for the Coupling Cyclization of γ-Amino Alcohols and Secondary Alcohols ACS Catalysis, 2016, 6, 1247 |
4513806 | CIF | C31 H33 Fe P S | P 1 21 1 | 8.6051; 8.456; 18.6229 90; 96.947; 90 | 1345.14 | Ogasawara, Masamichi; Arae, Sachie; Watanabe, Susumu; Nakajima, Kiyohiko; Takahashi, Tamotsu Kinetic Resolution of Planar-Chiral Ferrocenylphosphine Derivatives by Molybdenum-Catalyzed Asymmetric Ring-Closing Metathesis and Their Application in Asymmetric Catalysis ACS Catalysis, 2016, 6, 1308 |
4513807 | CIF | C26 H21 N | P -1 | 8.219; 10.1031; 12.1768 86.213; 78.34; 86.602 | 987.01 | Borie, Cyril; Vanthuyne, Nicolas; Bertrand, Michèle P.; Siri, Didier; Nechab, Malek Palladium Tandem Catalysis in the Atropodiastereoselective Synthesis of Indenes Bearing Central and Axial Chirality ACS Catalysis, 2016, 6, 1559 |
4513808 | CIF | C14 H17 N O3 S | P -1 | 6.1084; 14.9045; 15.5068 85.229; 81.551; 83.644 | 1384.7 | Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams ACS Catalysis, 2016, 6, 1565 |
4513809 | CIF | C22 H23 N O3 S | P 1 21/n 1 | 9.51; 13.531; 15.5036 90; 101.853; 90 | 1952.46 | Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams ACS Catalysis, 2016, 6, 1565 |
4513810 | CIF | C12 H13 N O3 S | P -1 | 7.4674; 8.2917; 10.159 84.506; 89.933; 69.136 | 584.71 | Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams ACS Catalysis, 2016, 6, 1565 |
4513811 | CIF | C22 H17 N O3 S | P 1 21/n 1 | 10.3225; 20.9863; 16.6431 90; 95.815; 90 | 3586.9 | Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams ACS Catalysis, 2016, 6, 1565 |
4513812 | CIF | C22 H17 N O3 S | P -1 | 8.5582; 10.1474; 11.3665 114.204; 92.3803; 95.0132 | 893.63 | Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams ACS Catalysis, 2016, 6, 1565 |
4513813 | CIF | C13 H15 N O3 S | P 1 21/c 1 | 15.7908; 6.1888; 13.6788 90; 106.523; 90 | 1281.57 | Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams ACS Catalysis, 2016, 6, 1565 |
4513814 | CIF | C13 H15 N O3 S | P 21 21 21 | 6.4715; 12.2935; 16.0625 90; 90; 90 | 1277.89 | Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams ACS Catalysis, 2016, 6, 1565 |
4513815 | CIF | C17 H17 N3 O | P 1 21 1 | 8.6937; 8.2505; 9.8923 90; 96.8229; 90 | 704.524 | Singh, Manish K.; Akula, Hari K.; Satishkumar, Sakilam; Stahl, Lothar; Lakshman, Mahesh K. Ruthenium-Catalyzed C-H Bond Activation Approach to Azolyl Aminals and Hemiaminal Ethers, Mechanistic Evaluations, and Isomer Interconversion. ACS catalysis, 2016, 6, 1921-1928 |
4513816 | CIF | C33 H27 F2 N O4 | P -1 | 7.9794; 12.355; 27.87 83.268; 84.119; 89.549 | 2714.2 | Wang, Qiang; Li, Yingzi; Qi, Zisong; Xie, Fang; Lan, Yu; Li, Xingwei Rhodium(III)-Catalyzed Annulation betweenN-Sulfinyl Ketoimines and Activated Olefins: C‒H Activation Assisted by an Oxidizing N‒S Bond ACS Catalysis, 2016, 6, 1971 |
4513817 | CIF | C63 H53 B Cl N4 O3 P Ru | P 1 21/c 1 | 10.0715; 28.3272; 21.8875 90; 92.226; 90 | 6239.7 | Moore, Cameron M.; Bark, Byongjoo; Szymczak, Nathaniel K. Simple Ligand Modifications with Pendent OH Groups Dramatically Impact the Activity and Selectivity of Ruthenium Catalysts for Transfer Hydrogenation: The Importance of Alkali Metals ACS Catalysis, 2016, 6, 1981 |
4513818 | CIF | C38 H36 Cl F6 N3 O4 P2 Ru | P 1 21/n 1 | 14.0112; 9.7442; 27.2179 90; 94.215; 90 | 3706 | Moore, Cameron M.; Bark, Byongjoo; Szymczak, Nathaniel K. Simple Ligand Modifications with Pendent OH Groups Dramatically Impact the Activity and Selectivity of Ruthenium Catalysts for Transfer Hydrogenation: The Importance of Alkali Metals ACS Catalysis, 2016, 6, 1981 |
4513819 | CIF | C21 H29 Cl F6 N3 O2 P3 Ru | P 1 21/n 1 | 12.1467; 17.3624; 12.8848 90; 90.182; 90 | 2717.3 | Moore, Cameron M.; Bark, Byongjoo; Szymczak, Nathaniel K. Simple Ligand Modifications with Pendent OH Groups Dramatically Impact the Activity and Selectivity of Ruthenium Catalysts for Transfer Hydrogenation: The Importance of Alkali Metals ACS Catalysis, 2016, 6, 1981 |
4513820 | CIF | C33 H26 Cl2 N3 O2 P Ru | P 1 21/n 1 | 11.6136; 17.269; 14.4146 90; 90.128; 90 | 2890.9 | Moore, Cameron M.; Bark, Byongjoo; Szymczak, Nathaniel K. Simple Ligand Modifications with Pendent OH Groups Dramatically Impact the Activity and Selectivity of Ruthenium Catalysts for Transfer Hydrogenation: The Importance of Alkali Metals ACS Catalysis, 2016, 6, 1981 |
4513821 | CIF | C69 H53 N6 O5 P2 Ru2 | C 1 2/c 1 | 38.209; 13.4891; 24.3071 90; 118.199; 90 | 11041.1 | Moore, Cameron M.; Bark, Byongjoo; Szymczak, Nathaniel K. Simple Ligand Modifications with Pendent OH Groups Dramatically Impact the Activity and Selectivity of Ruthenium Catalysts for Transfer Hydrogenation: The Importance of Alkali Metals ACS Catalysis, 2016, 6, 1981 |
4513822 | CIF | C19 H23 F3 Ir N3 O3 S | P 1 21/c 1 | 14.9292; 12.2212; 12.2965 90; 109.506; 90 | 2114.8 | Lu, Zhiyao; Demianets, Ivan; Hamze, Rasha; Terrile, Nicholas J.; Williams, Travis J. A Prolific Catalyst for Selective Conversion of Neat Glycerol to Lactic Acid ACS Catalysis, 2016, 6, 2014 |
4513823 | CIF | C27 H31 F3 Ir N3 O3 S | P 1 21/c 1 | 11.0313; 26.4631; 19.9865 90; 98.415; 90 | 5771.7 | Lu, Zhiyao; Demianets, Ivan; Hamze, Rasha; Terrile, Nicholas J.; Williams, Travis J. A Prolific Catalyst for Selective Conversion of Neat Glycerol to Lactic Acid ACS Catalysis, 2016, 6, 2014 |
4513824 | CIF | C2 H5 Na3 O8 | C 1 2/c 1 | 20.3758; 3.4577; 10.3049 90; 106.491; 90 | 696.15 | Lu, Zhiyao; Demianets, Ivan; Hamze, Rasha; Terrile, Nicholas J.; Williams, Travis J. A Prolific Catalyst for Selective Conversion of Neat Glycerol to Lactic Acid ACS Catalysis, 2016, 6, 2014 |
4513825 | CIF | C28 H33 B O2 Si | P -1 | 9.8337; 11.7927; 12.4336 112.475; 96.966; 104.18 | 1254 | Ansell, Melvyn B.; Spencer, John; Navarro, Oscar (N-Heterocyclic Carbene)2-Pd(0)-Catalyzed Silaboration of Internal and Terminal Alkynes: Scope and Mechanistic Studies ACS Catalysis, 2016, 6, 2192 |
4513826 | CIF | C33 H49 N4 Pd Si2 | P -1 | 11.8802; 12.1897; 13.9679 86.341; 73.708; 63.295 | 1729.87 | Ansell, Melvyn B.; Spencer, John; Navarro, Oscar (N-Heterocyclic Carbene)2-Pd(0)-Catalyzed Silaboration of Internal and Terminal Alkynes: Scope and Mechanistic Studies ACS Catalysis, 2016, 6, 2192 |
4513827 | CIF | C28 H47 B N4 O2 Pd Si | P 1 21/n 1 | 12.9381; 17.8318; 14.8311 90; 113.454; 90 | 3138.98 | Ansell, Melvyn B.; Spencer, John; Navarro, Oscar (N-Heterocyclic Carbene)2-Pd(0)-Catalyzed Silaboration of Internal and Terminal Alkynes: Scope and Mechanistic Studies ACS Catalysis, 2016, 6, 2192 |
4513837 | CIF | C23 H26 I2 Ir N3 | P 1 21/c 1 | 17.0173; 7.793; 19.3018 90; 103.52; 90 | 2488.79 | Semwal, Shrivats; Choudhury, Joyanta Molecular Coordination-Switch in a New Role: Controlling Highly Selective Catalytic Hydrogenation with Switchability Function ACS Catalysis, 2016, 6, 2424 |
4513838 | CIF | C23 H25 I Ir N3 | P -1 | 9.2675; 10.21; 12.0027 79.971; 78.553; 83.299 | 1092.13 | Semwal, Shrivats; Choudhury, Joyanta Molecular Coordination-Switch in a New Role: Controlling Highly Selective Catalytic Hydrogenation with Switchability Function ACS Catalysis, 2016, 6, 2424 |
4513839 | CIF | C21 H19 N O4 | P 21 21 21 | 7.32516; 13.4286; 19.6168 90; 90; 90 | 1929.64 | Wang, Gang; Liu, Xiaohua; Chen, Yushuang; Yang, Jian; Li, Jun; Lin, Lili; Feng, Xiaoming Diastereoselective and Enantioselective Alleno-aldol Reaction of Allenoates with Isatins to Synthesis of Carbinol Allenoates Catalyzed by Gold ACS Catalysis, 2016, 6, 2482 |
4513840 | CIF | C17 H10 F6 O2 | P 1 21/c 1 | 5.622; 15.483; 18.549 90; 94.841; 90 | 1608.8 | Fu, Ming-Chen; Shang, Rui; Cheng, Wan-Min; Fu, Yao Nickel-Catalyzed Regio- and Stereoselective Hydrocarboxylation of Alkynes with Formic Acid through Catalytic CO Recycling ACS Catalysis, 2016, 6, 2501 |
4513841 | CIF | C12 H12 O4 | P 1 21/n 1 | 4.5824; 19.9078; 12.0067 90; 94.374; 90 | 1092.13 | Fu, Ming-Chen; Shang, Rui; Cheng, Wan-Min; Fu, Yao Nickel-Catalyzed Regio- and Stereoselective Hydrocarboxylation of Alkynes with Formic Acid through Catalytic CO Recycling ACS Catalysis, 2016, 6, 2501 |
4513842 | CIF | C67 H16 B2 Cl2 F40 Fe4 O12 S4 | P c a 21 | 17.7344; 14.2966; 30.6824 90; 90; 90 | 7779.3 | Liu, Yu-Chiao; Chu, Kai-Ti; Huang, Yi-Lan; Hsu, Cheng-Huey; Lee, Gene-Hsiang; Tseng, Mei-Chun; Chiang, Ming-Hsi Protonation/Reduction of Carbonyl-Rich Diiron Complexes and the Direct Observation of Triprotonated Species: Insights into the Electrocatalytic Mechanism of Hydrogen Formation ACS Catalysis, 2016, 6, 2559 |
4513843 | CIF | C36 H5 B F20 Fe2 O6 S2 | P b c a | 16.0418; 20.9445; 23.0959 90; 90; 90 | 7759.9 | Liu, Yu-Chiao; Chu, Kai-Ti; Huang, Yi-Lan; Hsu, Cheng-Huey; Lee, Gene-Hsiang; Tseng, Mei-Chun; Chiang, Ming-Hsi Protonation/Reduction of Carbonyl-Rich Diiron Complexes and the Direct Observation of Triprotonated Species: Insights into the Electrocatalytic Mechanism of Hydrogen Formation ACS Catalysis, 2016, 6, 2559 |
4513844 | CIF | C33 H7 B Cl2 F20 Fe2 O6 S2 | C 1 c 1 | 22.9134; 12.3868; 17.2161 90; 124.699; 90 | 4017.3 | Liu, Yu-Chiao; Chu, Kai-Ti; Huang, Yi-Lan; Hsu, Cheng-Huey; Lee, Gene-Hsiang; Tseng, Mei-Chun; Chiang, Ming-Hsi Protonation/Reduction of Carbonyl-Rich Diiron Complexes and the Direct Observation of Triprotonated Species: Insights into the Electrocatalytic Mechanism of Hydrogen Formation ACS Catalysis, 2016, 6, 2559 |
4513845 | CIF | C11 H7 F9 Fe2 O15 S5 | P 1 21/m 1 | 6.4147; 18.5996; 11.5206 90; 104.145; 90 | 1332.85 | Liu, Yu-Chiao; Chu, Kai-Ti; Huang, Yi-Lan; Hsu, Cheng-Huey; Lee, Gene-Hsiang; Tseng, Mei-Chun; Chiang, Ming-Hsi Protonation/Reduction of Carbonyl-Rich Diiron Complexes and the Direct Observation of Triprotonated Species: Insights into the Electrocatalytic Mechanism of Hydrogen Formation ACS Catalysis, 2016, 6, 2559 |
4513846 | CIF | C18 H16 O | P 1 21 1 | 10.5879; 4.8182; 13.6534 90; 96.876; 90 | 691.51 | Rodríguez, Elsa; Grayson, Matthew N.; Asensio, Amparo; Barrio, Pablo; Houk, K. N.; Fustero, Santos Chiral Brønsted Acid-Catalyzed Asymmetric Allyl(propargyl)boration Reaction ofortho-Alkynyl Benzaldehydes: Synthetic Applications and Factors Governing the Enantioselectivity ACS Catalysis, 2016, 6, 2506 |
4513847 | CIF | C18 H14 O | P 1 21 1 | 10.5044; 4.7708; 13.7318 90; 97.605; 90 | 682.11 | Rodríguez, Elsa; Grayson, Matthew N.; Asensio, Amparo; Barrio, Pablo; Houk, K. N.; Fustero, Santos Chiral Brønsted Acid-Catalyzed Asymmetric Allyl(propargyl)boration Reaction ofortho-Alkynyl Benzaldehydes: Synthetic Applications and Factors Governing the Enantioselectivity ACS Catalysis, 2016, 6, 2506 |
4513848 | CIF | C23 H33 Co N3 O4 | P 1 21/c 1 | 8.9984; 21.6663; 12.2395 90; 90.0826; 90 | 2386.24 | Schuster, Christopher H.; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J. Bench-Stable, Substrate-Activated Cobalt Carboxylate Pre-Catalysts for Alkene Hydrosilylation with Tertiary Silanes ACS Catalysis, 2016, 6, 2632 |
4513849 | CIF | C21 H35 Co N3 O5 | P 1 21/c 1 | 8.9806; 29.3177; 8.8612 90; 97.9533; 90 | 2310.63 | Schuster, Christopher H.; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J. Bench-Stable, Substrate-Activated Cobalt Carboxylate Pre-Catalysts for Alkene Hydrosilylation with Tertiary Silanes ACS Catalysis, 2016, 6, 2632 |
4513850 | CIF | C22 H23 Cl Ir N3 O3 | P 1 21/c 1 | 15.229; 8.446; 17.388 90; 108.03; 90 | 2126.7 | Ngo, Anh H.; Ibañez, Miguel; Do, Loi H. Catalytic Hydrogenation of Cytotoxic Aldehydes Using Nicotinamide Adenine Dinucleotide (NADH) in Cell Growth Media ACS Catalysis, 2016, 6, 2637 |
4513853 | CIF | C20 H38 Br Fe N3 O P2 | P 1 21 1 | 11.7189; 12.5863; 16.7721 90; 99.602; 90 | 2439.2 | Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl Highly Efficient and Selective Hydrogenation of Aldehydes: A Well-Defined Fe(II) Catalyst Exhibits Noble-Metal Activity. ACS catalysis, 2016, 6, 2664-2672 |
4513854 | CIF | C20 H39 Fe N3 O P2 | P 1 21/c 1 | 13.7848; 11.7982; 15.4447 90; 113.332; 90 | 2306.5 | Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl Highly Efficient and Selective Hydrogenation of Aldehydes: A Well-Defined Fe(II) Catalyst Exhibits Noble-Metal Activity. ACS catalysis, 2016, 6, 2664-2672 |
4513855 | CIF | C29 H26 F3 N3 O6 S | P 21 21 21 | 8.33; 21.758; 15.532 90; 90; 90 | 2815.08 | Montesinos-Magraner, Marc; Vila, Carlos; Rendón-Patiño, Alejandra; Blay, Gonzalo; Fernández, Isabel; Muñoz, M. Carmen; Pedro, José R. Organocatalytic Enantioselective Friedel‒Crafts Aminoalkylation of Indoles in the Carbocyclic Ring ACS Catalysis, 2016, 6, 2689 |
4513856 | CIF | C29 H29 N3 O6 S | P 21 21 21 | 8.592; 11.328; 27.778 90; 90; 90 | 2703.64 | Montesinos-Magraner, Marc; Vila, Carlos; Rendón-Patiño, Alejandra; Blay, Gonzalo; Fernández, Isabel; Muñoz, M. Carmen; Pedro, José R. Organocatalytic Enantioselective Friedel‒Crafts Aminoalkylation of Indoles in the Carbocyclic Ring ACS Catalysis, 2016, 6, 2689 |
4513857 | CIF | C29 H26 F3 N3 O6 S | P -1 | 10.512; 10.602; 13.589 104.085; 99.52; 91.757 | 1444.7 | Montesinos-Magraner, Marc; Vila, Carlos; Rendón-Patiño, Alejandra; Blay, Gonzalo; Fernández, Isabel; Muñoz, M. Carmen; Pedro, José R. Organocatalytic Enantioselective Friedel‒Crafts Aminoalkylation of Indoles in the Carbocyclic Ring ACS Catalysis, 2016, 6, 2689 |
4513858 | CIF | C20 H19 N O2 | P 21 21 21 | 7.23695; 9.22435; 23.1301 90; 90; 90 | 1544.08 | Ghosh, Avipsa; Walker, James A.; Ellern, Arkady; Stanley, Levi M. Coupling Catalytic Alkene Hydroacylation and α-Arylation: Enantioselective Synthesis of Heterocyclic Ketones with α-Chiral Quaternary Stereocenters ACS Catalysis, 2016, 6, 2673 |
4513863 | CIF | C33 H38 B Li O2 P2 S2 | P -1 | 9.0615; 10.7999; 17.4441 88.376; 79.606; 82.091 | 1663.14 | Lafage, Mathieu; Pujol, Anthony; Saffon-Merceron, Nathalie; Mézailles, Nicolas BH3Activation by Phosphorus-Stabilized Geminal Dianions: Synthesis of Ambiphilic Organoborane, DFT Studies, and Catalytic CO2Reduction into Methanol Derivatives ACS Catalysis, 2016, 6, 3030 |
4513864 | CIF | C29 H35 B2 Li O P2 S2 | C 1 2/c 1 | 15.4208; 14.8446; 13.1339 90; 92.9702; 90 | 3002.52 | Lafage, Mathieu; Pujol, Anthony; Saffon-Merceron, Nathalie; Mézailles, Nicolas BH3Activation by Phosphorus-Stabilized Geminal Dianions: Synthesis of Ambiphilic Organoborane, DFT Studies, and Catalytic CO2Reduction into Methanol Derivatives ACS Catalysis, 2016, 6, 3030 |
4513865 | CIF | C20 H20 O | P 21 21 21 | 8.4103; 8.8487; 20.8277 90; 90; 90 | 1550 | Casanova, Noelia; Del Rio, Karina P.; García-Fandiño, Rebeca; Mascareñas, José L; Gulías, Moisés Palladium(II)-Catalyzed Annulation between ortho-Alkenylphenols and Allenes. Key Role of the Metal Geometry in Determining the Reaction Outcome. ACS catalysis, 2016, 6, 3349-3353 |
4513866 | CIF | C36 H32 O2 | P 1 21/c 1 | 9.4194; 7.0858; 19.435 90; 95.373; 90 | 1291.5 | Casanova, Noelia; Del Rio, Karina P.; García-Fandiño, Rebeca; Mascareñas, José L; Gulías, Moisés Palladium(II)-Catalyzed Annulation between ortho-Alkenylphenols and Allenes. Key Role of the Metal Geometry in Determining the Reaction Outcome. ACS catalysis, 2016, 6, 3349-3353 |
4513867 | CIF | C20 H19 F O | P 21 21 21 | 6.489; 7.157; 32.722 90; 90; 90 | 1519.7 | Casanova, Noelia; Del Rio, Karina P.; García-Fandiño, Rebeca; Mascareñas, José L; Gulías, Moisés Palladium(II)-Catalyzed Annulation between ortho-Alkenylphenols and Allenes. Key Role of the Metal Geometry in Determining the Reaction Outcome. ACS catalysis, 2016, 6, 3349-3353 |
4513868 | CIF | C16 H19.16 N2 O4.58 Pd | P 1 21/c 1 | 14.136; 9.529; 25.085 90; 94.09; 90 | 3370.4 | White, Paul B.; Jaworski, Jonathan N.; Zhu, Geyunjian Harry; Stahl, Shannon S. Diazafluorenone-Promoted Oxidation Catalysis: Insights into the Role of Bidentate Ligands in Pd-Catalyzed Aerobic Aza-Wacker Reactions. ACS catalysis, 2016, 6, 3340-3348 |
4513869 | CIF | C20 H17 N3 O5 Pd | P 1 21/n 1 | 11.06; 10.703; 15.879 90; 102.713; 90 | 1833.6 | White, Paul B.; Jaworski, Jonathan N.; Zhu, Geyunjian Harry; Stahl, Shannon S. Diazafluorenone-Promoted Oxidation Catalysis: Insights into the Role of Bidentate Ligands in Pd-Catalyzed Aerobic Aza-Wacker Reactions. ACS catalysis, 2016, 6, 3340-3348 |
4513870 | CIF | C22 H23 N3 O4 Pd | P 1 21/c 1 | 12.472; 8.829; 19.26 90; 90.22; 90 | 2120.8 | White, Paul B.; Jaworski, Jonathan N.; Zhu, Geyunjian Harry; Stahl, Shannon S. Diazafluorenone-Promoted Oxidation Catalysis: Insights into the Role of Bidentate Ligands in Pd-Catalyzed Aerobic Aza-Wacker Reactions. ACS catalysis, 2016, 6, 3340-3348 |
4513871 | CIF | C19 H26 B N O2 | P 1 21 1 | 9.8601; 17.3729; 10.9482 90; 111.164; 90 | 1748.92 | Zhan, Miao; Li, Ren-Zhe; Mou, Ze-Dong; Cao, Chao-Guo; Liu, Jie; Chen, Yuan-Wei; Niu, Dawen Silver-Assisted, Iridium-Catalyzed Allylation of Bis[(pinacolato)boryl]methane Allows the Synthesis of Enantioenriched Homoallylic Organoboronic Esters ACS Catalysis, 2016, 6, 3381 |
4513872 | CIF | C51 H32 N4 O9 Zn2 | P 42/m n m | 36.0683; 36.0683; 27.0566 90; 90; 90 | 35199 | Hall, Edward A.; Redfern, Louis R.; Wang, Michael H.; Scheidt, Karl A. Lewis Acid Activation of a Hydrogen Bond Donor Metal‒Organic Framework for Catalysis ACS Catalysis, 2016, 6, 3248 |
4513873 | CIF | C15 H19 Ir N2 O6 S | P 1 21/c 1 | 8.7413; 14.2966; 15.2329 90; 98.084; 90 | 1884.75 | Koelewijn, Jacobus M.; Lutz, Martin; Dzik, Wojciech I.; Detz, Remko J.; Reek, Joost N. H. Reaction Progress Kinetic Analysis as a Tool To Reveal Ligand Effects in Ce(IV)-Driven IrCp*-Catalyzed Water Oxidation ACS Catalysis, 2016, 6, 3418 |
4513878 | CIF | C30 H20 N2 O | P 21 21 21 | 9.0933; 20.0387; 23.2417 90; 90; 90 | 4235.05 | Kumar, Dinesh; Vemula, Sandeep R.; Cook, Gregory R. Merging C‒H Bond Functionalization with Amide Alcoholysis: En Route to 2-Aminopyridines ACS Catalysis, 2016, 6, 3531 |
4513879 | CIF | C33 H23 F3 N2 O4 | P 1 21/c 1 | 21.6794; 5.8892; 20.8559 90; 98.889; 90 | 2630.78 | Kumar, Dinesh; Vemula, Sandeep R.; Cook, Gregory R. Merging C‒H Bond Functionalization with Amide Alcoholysis: En Route to 2-Aminopyridines ACS Catalysis, 2016, 6, 3531 |
4513880 | CIF | C26 H20 N2 O | P -1 | 12.5358; 12.9306; 14.235 66.91; 68.341; 69.341 | 1913.41 | Kumar, Dinesh; Vemula, Sandeep R.; Cook, Gregory R. Merging C‒H Bond Functionalization with Amide Alcoholysis: En Route to 2-Aminopyridines ACS Catalysis, 2016, 6, 3531 |
4513881 | CIF | C27 H20 Br N O3 S | P 1 21/c 1 | 12.857; 15.123; 12.073 90; 102.04; 90 | 2295.79 | Sun, Jiaqiong; Zheng, Guangfan; Xiong, Tao; Zhang, Qiao; Zhao, Jinbo; Li, Yan; Zhang, Qian Copper-Catalyzed Hydroxyl-Directed Aminoarylation of Alkynes ACS Catalysis, 2016, 6, 3674 |
4513882 | CIF | C35 H30 Br N3 O2 | P -1 | 10.6203; 11.0296; 13.8669 102.003; 107.216; 99.873 | 1469.68 | Wei, Guo; Zhang, Chenhao; Bureš, Filip; Ye, Xinyi; Tan, Choon-Hong; Jiang, Zhiyong Enantioselective Aerobic Oxidative C(sp3)‒H Olefination of Amines via Cooperative Photoredox and Asymmetric Catalysis ACS Catalysis, 2016, 6, 3708 |
4513883 | CIF | C27 H26 O3 | P 1 21/c 1 | 14.1082; 18.267; 8.1718 90; 96.84; 90 | 2091 | Yan, Jianming; Yoshikai, Naohiko Cobalt-Catalyzed Arylative Cyclization of Acetylenic Esters and Ketones with Arylzinc Reagents through 1,4-Cobalt Migration ACS Catalysis, 2016, 6, 3738 |
4513884 | CIF | C24 H21 N O2 | P 1 21/c 1 | 12.787; 12.7131; 12.427 90; 114.445; 90 | 1839.1 | Li, Bin; Xu, Hong; Wang, Huanan; Wang, Baiquan Rhodium-Catalyzed Annulation of Tertiary AnilineN-Oxides toN-Alkylindoles: Regioselective C‒H Activation, Oxygen-Atom Transfer, andN-Dealkylative Cyclization ACS Catalysis, 2016, 6, 3856 |
4513885 | CIF | C22 H18 Br N | P 1 21/n 1 | 9.67; 19.62; 9.9545 90; 112.567; 90 | 1744 | Li, Bin; Xu, Hong; Wang, Huanan; Wang, Baiquan Rhodium-Catalyzed Annulation of Tertiary AnilineN-Oxides toN-Alkylindoles: Regioselective C‒H Activation, Oxygen-Atom Transfer, andN-Dealkylative Cyclization ACS Catalysis, 2016, 6, 3856 |
4513886 | CIF | C14 H16 F3 N3 O3 | P 21 21 21 | 4.8832; 15.6825; 19.696 90; 90; 90 | 1508.34 | Barron, Benedict J.; Wong, Wing-Tak; Chiu, Pauline; Hii, King Kuok “Goldilocks Effect” of Water in Lewis-Brønsted Acid and Base Catalysis ACS Catalysis, 2016, 6, 4189 |
4513887 | CIF | C20 H13 N O2 | P b c n | 11.5615; 11.966; 21.75 90; 90; 90 | 3009 | Abdellaoui, Fatma; Youssef, Chiraz; Ben Ammar, Hamed; Roisnel, Thierry; Soulé, Jean-François; Doucet, Henri Palladium-Catalyzed Regioselective C‒H Bond Arylations of Benzoxazoles and Benzothiazoles at the C7 Position ACS Catalysis, 2016, 6, 4248 |
4513895 | CIF | C20 H24 Cl2 Ir N3 | P 21 21 21 | 9.263; 13.429; 17.935 90; 90; 90 | 2231 | Bucci, Alberto; Menendez Rodriguez, Gabriel; Bellachioma, Gianfranco; Zuccaccia, Cristiano; Poater, Albert; Cavallo, Luigi; Macchioni, Alceo An Alternative Reaction Pathway for Iridium-Catalyzed Water Oxidation Driven by Cerium Ammonium Nitrate (CAN) ACS Catalysis, 2016, 6, 4559 |
4513899 | CIF | C69 H64 Cl2 Co F51 N7 O5 | P 1 21/c 1 | 24.5991; 14.5605; 25.6393 90; 106.121; 90 | 8822.2 | Chen, Ba-Tian; Morlanés, Natalia; Adogla, Enoch; Takanabe, Kazuhiro; Rodionov, Valentin O. An Efficient and Stable Hydrophobic Molecular Cobalt Catalyst for Water Electro-oxidation at Neutral pH ACS Catalysis, 2016, 6, 4647 |
4513900 | CIF | C29 H20 N O3 S | P -1 | 9.8908; 10.8195; 12.6228 82.7016; 87.4478; 81.7877 | 1325.65 | Chen, Zi-Sheng; Huang, Liang-Zhu; Jeon, Hyun Ji; Xuan, Zi; Lee, Sang-gi Cooperative Pd(0)/Rh(II) Dual Catalysis: Interceptive Capturing of π-Allyl Pd(II) Complexes with α-Imino Rh(II) Carbenoids ACS Catalysis, 2016, 6, 4914 |
4513901 | CIF | C25 H22 N2 O6 S | P -1 | 6.3051; 8.242; 21.9792 90.797; 96.108; 96.816 | 1127.27 | Chen, Zi-Sheng; Huang, Liang-Zhu; Jeon, Hyun Ji; Xuan, Zi; Lee, Sang-gi Cooperative Pd(0)/Rh(II) Dual Catalysis: Interceptive Capturing of π-Allyl Pd(II) Complexes with α-Imino Rh(II) Carbenoids ACS Catalysis, 2016, 6, 4914 |
4513903 | CIF | C51 H66 Cl2 N2 O2 Ti | P 1 21/c 1 | 13.4223; 15.5169; 23.9951 90; 104.683; 90 | 4834.3 | Pletcher, Paul D.; Switzer, Jeffrey M.; Steelman, D. Keith; Medvedev, Grigori A.; Delgass, W. Nicholas; Caruthers, James M.; Abu-Omar, Mahdi M. Quantitative Comparative Kinetics of 1-Hexene Polymerization across Group IV Bis-Phenolate Catalysts ACS Catalysis, 2016, 6, 5138 |
4513904 | CIF | C20 H24 I Ir N2 | P 1 21/c 1 | 13.683; 8.7527; 16.3494 90; 102.176; 90 | 1914 | Thenarukandiyil, Ranjeesh; Gupta, Suraj K.; Choudhury, Joyanta Unraveling the Competition of Two C‒H and Two M‒C Bonds in Guiding the Mechanism of Rhodium(III)-Catalyzed C‒H Activation‒Annulation ACS Catalysis, 2016, 6, 5132 |
4513905 | CIF | C26 H30 I Ir N2 O4 | P 1 21/n 1 | 10.646; 17.272; 14.564 90; 101.437; 90 | 2624.8 | Thenarukandiyil, Ranjeesh; Gupta, Suraj K.; Choudhury, Joyanta Unraveling the Competition of Two C‒H and Two M‒C Bonds in Guiding the Mechanism of Rhodium(III)-Catalyzed C‒H Activation‒Annulation ACS Catalysis, 2016, 6, 5132 |
4513906 | CIF | C26 H30 I N2 O4 Rh | P 1 21/n 1 | 10.6334; 17.2916; 14.4816 90; 101.307; 90 | 2611 | Thenarukandiyil, Ranjeesh; Gupta, Suraj K.; Choudhury, Joyanta Unraveling the Competition of Two C‒H and Two M‒C Bonds in Guiding the Mechanism of Rhodium(III)-Catalyzed C‒H Activation‒Annulation ACS Catalysis, 2016, 6, 5132 |
4513907 | CIF | C16 H30 Ca O12 | C 1 2 1 | 19.697; 5.855; 9.532 90; 95.8; 90 | 1093.7 | Petrus, Rafał; Bykowski, Dominik; Sobota, Piotr Solvothermal Alcoholysis Routes for Recycling Polylactide Waste as Lactic Acid Esters ACS Catalysis, 2016, 6, 5222 |
4513908 | CIF | C20 H40 Ca Cl2 O12 | P 1 | 8.768; 9.508; 10.629 97.45; 100.88; 117.39 | 748.4 | Petrus, Rafał; Bykowski, Dominik; Sobota, Piotr Solvothermal Alcoholysis Routes for Recycling Polylactide Waste as Lactic Acid Esters ACS Catalysis, 2016, 6, 5222 |
4513910 | CIF | C4 H12 Cl2 O2 Pd S2 | P 1 21/n 1 | 6.266; 9.3515; 9.3563 90; 108.635; 90 | 519.5 | Vemula, Sandeep R.; Kumar, Dinesh; Cook, Gregory R. Palladium-Catalyzed Allylic Amidation with N-Heterocycles via sp3C‒H Oxidation ACS Catalysis, 2016, 6, 5295 |
4513911 | CIF | C18 H15 Cl2 Pd2 | P 1 21/n 1 | 10.1578; 10.4643; 16.6141 90; 90.274; 90 | 1765.96 | Vemula, Sandeep R.; Kumar, Dinesh; Cook, Gregory R. Palladium-Catalyzed Allylic Amidation with N-Heterocycles via sp3C‒H Oxidation ACS Catalysis, 2016, 6, 5295 |
4513912 | CIF | C23 H22 N2 O | P 21 21 21 | 8.9213; 9.9325; 20.8095 90; 90; 90 | 1843.95 | Zhuo, Chun-Xiang; Zhang, Xiao; You, Shu-Li Enantioselective Synthesis of Pyrrole-Fused Piperazine and Piperazinone Derivatives via Ir-Catalyzed Asymmetric Allylic Amination ACS Catalysis, 2016, 6, 5307 |
4513918 | CIF | C14 H14 Cl4 N8 Pd2 | P 1 21/n 1 | 10.3908; 11.9666; 17.1508 90; 106.646; 90 | 2043.2 | Dehury, Niranjan; Maity, Niladri; Tripathy, Suman Kumar; Basset, Jean-Marie; Patra, Srikanta Dinuclear Tetrapyrazolyl Palladium Complexes Exhibiting Facile Tandem Transfer Hydrogenation/Suzuki Coupling Reaction of Fluoroarylketone ACS Catalysis, 2016, 6, 5535 |
4513919 | CIF | C20 H18 Cl4 N8 Pd2 | C 1 2/c 1 | 13.098; 14.599; 14.668 90; 113.234; 90 | 2577.3 | Dehury, Niranjan; Maity, Niladri; Tripathy, Suman Kumar; Basset, Jean-Marie; Patra, Srikanta Dinuclear Tetrapyrazolyl Palladium Complexes Exhibiting Facile Tandem Transfer Hydrogenation/Suzuki Coupling Reaction of Fluoroarylketone ACS Catalysis, 2016, 6, 5535 |
4513920 | CIF | C20 H18 Cl4 N8 Pd2 | P -1 | 7.602; 8.298; 10.7372 99.281; 104.335; 102.182 | 624.94 | Dehury, Niranjan; Maity, Niladri; Tripathy, Suman Kumar; Basset, Jean-Marie; Patra, Srikanta Dinuclear Tetrapyrazolyl Palladium Complexes Exhibiting Facile Tandem Transfer Hydrogenation/Suzuki Coupling Reaction of Fluoroarylketone ACS Catalysis, 2016, 6, 5535 |
4513921 | CIF | C15 H18 Cl N3 Ni O | C 1 2/c 1 | 14.6259; 13.2292; 16.0114 90; 101.154; 90 | 3039.51 | Soni, Vineeta; Jagtap, Rahul A.; Gonnade, Rajesh G.; Punji, Benudhar Unified Strategy for Nickel-Catalyzed C-2 Alkylation of Indoles through Chelation Assistance ACS Catalysis, 2016, 6, 5666 |
4513922 | CIF | C17 H22 N3 Ni O3.5 | P 1 21/c 1 | 15.7724; 14.0286; 16.1653 90; 101.236; 90 | 3508.25 | Soni, Vineeta; Jagtap, Rahul A.; Gonnade, Rajesh G.; Punji, Benudhar Unified Strategy for Nickel-Catalyzed C-2 Alkylation of Indoles through Chelation Assistance ACS Catalysis, 2016, 6, 5666 |
4513923 | CIF | C22 H33 B F4 P Rh | C 1 2/c 1 | 26.861; 7.7454; 21.4543 90; 97.763; 90 | 4422.6 | Strom, Alexandra E.; Balcells, David; Hartwig, John F. Synthetic and Computational Studies on the Rhodium-Catalyzed Hydroamination of Aminoalkenes ACS Catalysis, 2016, 6, 5651 |
4513924 | CIF | C26 H35 B F4 P Rh | P -1 | 10.927; 14.743; 15.848 106.91; 90.715; 94.619 | 2433 | Strom, Alexandra E.; Balcells, David; Hartwig, John F. Synthetic and Computational Studies on the Rhodium-Catalyzed Hydroamination of Aminoalkenes ACS Catalysis, 2016, 6, 5651 |
4513925 | CIF | C22 H35 B F4 P Rh | P -1 | 10.1423; 10.3515; 12.0166 91.342; 100.981; 115.42 | 1110.7 | Strom, Alexandra E.; Balcells, David; Hartwig, John F. Synthetic and Computational Studies on the Rhodium-Catalyzed Hydroamination of Aminoalkenes ACS Catalysis, 2016, 6, 5651 |
4513926 | CIF | C21 H20 Cl N3 O4 | P 1 21 1 | 9.48; 5.679; 19.061 90; 100.77; 90 | 1008.1 | Yang, Wu-Lin; Li, Chun-Yan; Qin, Wen-Jing; Tang, Fei-Fei; Yu, Xingxin; Deng, Wei-Ping Cu(I)-Catalyzed Chemoselective and Stereoselective [3 + 3] Cycloaddition of Azomethine Ylides with 2-Indolylnitroethylenes: Facile Access to Highly Substituted Tetrahydro-γ-Carbolines ACS Catalysis, 2016, 6, 5685 |
4513927 | CIF | C21 H20 Cl N3 O4 | P 21 21 21 | 7.1807; 13.199; 19.659 90; 90; 90 | 1863.2 | Yang, Wu-Lin; Li, Chun-Yan; Qin, Wen-Jing; Tang, Fei-Fei; Yu, Xingxin; Deng, Wei-Ping Cu(I)-Catalyzed Chemoselective and Stereoselective [3 + 3] Cycloaddition of Azomethine Ylides with 2-Indolylnitroethylenes: Facile Access to Highly Substituted Tetrahydro-γ-Carbolines ACS Catalysis, 2016, 6, 5685 |
4513928 | CIF | C17 H14 O2 | P 21 21 21 | 8.6908; 10.3574; 13.9701 90; 90; 90 | 1257.51 | Janssen-Müller, Daniel; Fleige, Mirco; Schlüns, Danny; Wollenburg, Marco; Daniliuc, Constantin G.; Neugebauer, Johannes; Glorius, Frank NHC-Catalyzed Enantioselective Dearomatizing Hydroacylation of Benzofurans and Benzothiophenes for the Synthesis of Spirocycles ACS Catalysis, 2016, 6, 5735 |
4513930 | CIF | C39 H70 O2 P2 Pd2 | P 1 21/c 1 | 9.7885; 32.8507; 26.2822 90; 93.385; 90 | 8436.5 | Lauer, Matthew G.; Headford, Benjamin R.; Gobble, Olivia M.; Weyhaupt, Michelle B.; Gerlach, Deidra L.; Zeller, Matthias; Shaughnessy, Kevin H. A Trialkylphosphine-Derived Palladacycle as a Catalyst in the Selective Cross-Dimerization of Terminal Arylacetylenes with Terminal Propargyl Alcohols and Amides ACS Catalysis, 2016, 6, 5834 |
4513932 | CIF | C28 H32 F6 N2 O3 Rh S Sb | P 1 21/c 1 | 13.8177; 16.467; 14.0445 90; 109.613; 90 | 3010.2 | Hu, Xu-Hong; Yang, Xiao-Fei; Loh, Teck-Peng Chelation-Assisted Rhodium-Catalyzed Direct Amidation with Amidobenziodoxolones: C(sp2)‒H, C(sp3)‒H, and Late-Stage Functionalizations ACS Catalysis, 2016, 6, 5930 |
4513933 | CIF | C28 H24 Cl3 N3 O7 S | P 1 | 9.8739; 10.6233; 13.8412 86.937; 77.911; 89.004 | 1417.6 | Hu, Xu-Hong; Yang, Xiao-Fei; Loh, Teck-Peng Chelation-Assisted Rhodium-Catalyzed Direct Amidation with Amidobenziodoxolones: C(sp2)‒H, C(sp3)‒H, and Late-Stage Functionalizations ACS Catalysis, 2016, 6, 5930 |
4513934 | CIF | C22 H18 N2 O4 S2 | P 1 21/c 1 | 17.653; 12.7; 9.4888 90; 93.31; 90 | 2123.8 | Pan, Fei; Li, Xin-Ling; Chen, Xiu-Mei; Shu, Chao; Ruan, Peng-Peng; Shen, Cang-Hai; Lu, Xin; Ye, Long-Wu Catalytic Ynamide Oxidation Strategy for the Preparation of α-Functionalized Amides ACS Catalysis, 2016, 6, 6055 |
4513935 | CIF | C29 H25 N O5 | P -1 | 9.2103; 9.7574; 14.5275 75.23; 88.275; 69.461 | 1179.64 | Jiang, Liqin; Jin, Weifeng; Hu, Wenhao Double C‒H Functionalization of Indoles via Three-Component Reactions/CuCl2-Catalyzed Aerobic Dehydrogenative Coupling for the Synthesis of Polyfunctional Cyclopenta[b]indoles ACS Catalysis, 2016, 6, 6146 |
4513938 | CIF | C25 H31 Cl O2 | P 1 21 1 | 9.842; 11.556; 9.8592 90; 97.807; 90 | 1110.9 | Ma, Chao; Huang, Yuan; Zhao, Yu Stereoselective 1,6-Conjugate Addition/Annulation ofpara-Quinone Methides with Vinyl Epoxides/Cyclopropanes ACS Catalysis, 2016, 6, 6408 |
4513939 | CIF | C39 H46 B2 F8 Fe N4 P2 | P 1 21 1 | 10.9646; 16.3287; 11.9006 90; 110.493; 90 | 1995.8 | Bigler, Raphael; Huber, Raffael; Stöckli, Marco; Mezzetti, Antonio Iron(II)/(NH)2P2Macrocycles: Modular, Highly Enantioselective Transfer Hydrogenation Catalysts ACS Catalysis, 2016, 6, 6455 |
4513940 | CIF | C59 H74 B2 Cl4 F8 Fe N4 P2 | P 1 | 10.4939; 10.7859; 13.5065 101.154; 92.256; 102.353 | 1459.9 | Bigler, Raphael; Huber, Raffael; Stöckli, Marco; Mezzetti, Antonio Iron(II)/(NH)2P2Macrocycles: Modular, Highly Enantioselective Transfer Hydrogenation Catalysts ACS Catalysis, 2016, 6, 6455 |
4513941 | CIF | C65.5 H33.5 Co F10 N6.5 O1.71 | P 1 21/c 1 | 17.3254; 30.92; 23.005 90; 90.359; 90 | 12323.6 | Lei, Haitao; Liu, Chengyu; Wang, Zhaojun; Zhang, Zongyao; Zhang, Meining; Chang, Xingmao; Zhang, Wei; Cao, Rui Noncovalent Immobilization of a Pyrene-Modified Cobalt Corrole on Carbon Supports for Enhanced Electrocatalytic Oxygen Reduction and Oxygen Evolution in Aqueous Solutions ACS Catalysis, 2016, 6, 6429 |
4513942 | CIF | C22 H32 Au F6 N4 Sb | P 1 21/c 1 | 8.4122; 11.7102; 14.7141 90; 103.893; 90 | 1407.06 | Bartolomé, Camino; Ramiro, Zoraida; Peñas-Defrutos, Marconi N.; Espinet, Pablo Some Singular Features of Gold Catalysis: Protection of Gold(I) Catalysts by Substoichiometric Agents and Associated Phenomena ACS Catalysis, 2016, 6, 6537 |
4513943 | CIF | C55 H51 B2 F20 N O Zr | P 1 21/n 1 | 10.6797; 38.6444; 25.5186 90; 94.5702; 90 | 10498.3 | Metters, Owen J.; Flynn, Stephanie R.; Dowds, Christiana K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F. Catalytic Dehydrocoupling of Amine‒Boranes using Cationic Zirconium(IV)‒Phosphine Frustrated Lewis Pairs ACS Catalysis, 2016, 6, 6601 |
4513944 | CIF | C62 H61.5 B2 Cl0.5 F20 N O Zr | P -1 | 10.8416; 16.5385; 18.9008 68.2519; 74.0118; 72.1388 | 2945.45 | Metters, Owen J.; Flynn, Stephanie R.; Dowds, Christiana K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F. Catalytic Dehydrocoupling of Amine‒Boranes using Cationic Zirconium(IV)‒Phosphine Frustrated Lewis Pairs ACS Catalysis, 2016, 6, 6601 |
4513945 | CIF | C60 H51 B F20 N2 O Zr | P c a 21 | 17.1305; 10.7085; 29.9187 90; 90; 90 | 5488.3 | Metters, Owen J.; Flynn, Stephanie R.; Dowds, Christiana K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F. Catalytic Dehydrocoupling of Amine‒Boranes using Cationic Zirconium(IV)‒Phosphine Frustrated Lewis Pairs ACS Catalysis, 2016, 6, 6601 |
4513946 | CIF | C20 H25 N O2 | P 1 21 1 | 9.419; 8.8409; 11.6624 90; 112.966; 90 | 894.18 | Zhang, Heyi; Lu, Zhan Dual-Stereocontrol Asymmetric Cobalt-Catalyzed Hydroboration of Sterically Hindered Styrenes ACS Catalysis, 2016, 6, 6596 |
4513948 | CIF | C25 H38 B3 Cl2 I N12 Ni2 | P -1 | 12.3061; 12.6455; 13.1675 78.8847; 71.0045; 87.4156 | 1900.8 | Lu, Zhiyao; Williams, Travis J. Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions ACS Catalysis, 2016, 6, 6670 |
4513949 | CIF | C59 H68 Cl2 N8 Ni3 O4 | P 1 21/c 1 | 22.9867; 8.2956; 32.6131 90; 109.922; 90 | 5846.8 | Lu, Zhiyao; Williams, Travis J. Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions ACS Catalysis, 2016, 6, 6670 |
4513950 | CIF | C24 H30 B I N4 | P 1 21/m 1 | 8.2687; 19.3361; 8.7596 90; 115.029; 90 | 1269.01 | Lu, Zhiyao; Williams, Travis J. Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions ACS Catalysis, 2016, 6, 6670 |
4513951 | CIF | C40 H55 Cl N4 Ni O0 | P 1 21 1 | 9.586; 12.006; 18.204 90; 96.216; 90 | 2082.8 | Pu, Xinghui; Hu, Jiefeng; Zhao, Yue; Shi, Zhuangzhi Nickel-Catalyzed Decarbonylative Borylation and Silylation of Esters ACS Catalysis, 2016, 6, 6692 |
4513952 | CIF | C42 H57 Cl3 N4 Ni O | P n a 21 | 12.7494; 28.039; 11.5771 90; 90; 90 | 4138.6 | Pu, Xinghui; Hu, Jiefeng; Zhao, Yue; Shi, Zhuangzhi Nickel-Catalyzed Decarbonylative Borylation and Silylation of Esters ACS Catalysis, 2016, 6, 6692 |
4513953 | CIF | C24 H55 Cl P2 Pd | C 1 2/c 1 | 45.941; 8.7162; 14.6019 90; 102.274; 90 | 5713.4 | Hu, Yue; Shen, Zhiqiang; Huang, Hanmin Palladium-Catalyzed Intramolecular Hydroaminocarbonylation to Lactams: Additive-Free Protocol Initiated by Palladium Hydride ACS Catalysis, 2016, 6, 6785 |
4513954 | CIF | C10 H8 N O2 | P 1 21/c 1 | 4.5967; 12.2704; 15.393 90; 94.473; 90 | 865.6 | Hu, Yue; Shen, Zhiqiang; Huang, Hanmin Palladium-Catalyzed Intramolecular Hydroaminocarbonylation to Lactams: Additive-Free Protocol Initiated by Palladium Hydride ACS Catalysis, 2016, 6, 6785 |
4513955 | CIF | C16 H15 N O | P 1 | 4.6759; 11.637; 12.148 101.704; 94.481; 97.981 | 637.1 | Hu, Yue; Shen, Zhiqiang; Huang, Hanmin Palladium-Catalyzed Intramolecular Hydroaminocarbonylation to Lactams: Additive-Free Protocol Initiated by Palladium Hydride ACS Catalysis, 2016, 6, 6785 |
4513956 | CIF | C25 H24 Br O2 P | P 1 21/n 1 | 14.349; 9.776; 16.959 90; 108.332; 90 | 2258 | Toda, Yasunori; Komiyama, Yutaka; Kikuchi, Ayaka; Suga, Hiroyuki Tetraarylphosphonium Salt-Catalyzed Carbon Dioxide Fixation at Atmospheric Pressure for the Synthesis of Cyclic Carbonates ACS Catalysis, 2016, 6, 6906 |
4513960 | CIF | C11 H13 N O3 S | P 1 21/c 1 | 9.45565; 18.07717; 13.18336 90; 103.903; 90 | 2187.43 | Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination ACS Catalysis, 2016, 6, 7183 |
4513961 | CIF | C17 H18 N2 O4 S | P 1 21/c 1 | 11.81121; 8.41417; 16.5698 90; 90.8215; 90 | 1646.56 | Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination ACS Catalysis, 2016, 6, 7183 |
4513962 | CIF | C19 H17 N O4 S | P 1 21/c 1 | 10.28582; 9.52978; 16.564 90; 90.4024; 90 | 1623.59 | Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination ACS Catalysis, 2016, 6, 7183 |
4513963 | CIF | C18 H19 N O4 S | P 21 21 21 | 5.45149; 15.7094; 38.6948 90; 90; 90 | 3313.81 | Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination ACS Catalysis, 2016, 6, 7183 |
4513970 | CIF | C84 H84 Cd2 N4 O16 V2 | P 2 2 21 | 34.388; 34.853; 13.3846 90; 90; 90 | 16041.8 | Zhu, Chengfeng; Xia, Qingchun; Chen, Xu; Liu, Yan; Du, Xia; Cui, Yong Chiral Metal‒Organic Framework as a Platform for Cooperative Catalysis in Asymmetric Cyanosilylation of Aldehydes ACS Catalysis, 2016, 6, 7590 |
4513971 | CIF | C84 H84 Cd2 Cu N4 O16 V | P 2 2 21 | 33.9506; 35.3214; 13.4377 90; 90; 90 | 16114.3 | Zhu, Chengfeng; Xia, Qingchun; Chen, Xu; Liu, Yan; Du, Xia; Cui, Yong Chiral Metal‒Organic Framework as a Platform for Cooperative Catalysis in Asymmetric Cyanosilylation of Aldehydes ACS Catalysis, 2016, 6, 7590 |
4513972 | CIF | C22 H16 Cl N | P 21 21 21 | 6.0503; 14.698; 18.444 90; 90; 90 | 1640.2 | Kim, Ju Hyun; Greßies, Steffen; Boultadakis-Arapinis, Mélissa; Daniliuc, Constantin; Glorius, Frank Rh(I)/NHC*-Catalyzed Site- and Enantioselective Functionalization of C(sp3)‒H Bonds Toward Chiral Triarylmethanes ACS Catalysis, 2016, 6, 7652 |
4513973 | CIF | C23 H19 N O | P 21 21 21 | 5.7336; 16.8181; 17.4381 90; 90; 90 | 1681.53 | Kim, Ju Hyun; Greßies, Steffen; Boultadakis-Arapinis, Mélissa; Daniliuc, Constantin; Glorius, Frank Rh(I)/NHC*-Catalyzed Site- and Enantioselective Functionalization of C(sp3)‒H Bonds Toward Chiral Triarylmethanes ACS Catalysis, 2016, 6, 7652 |
4513974 | CIF | C45 H37 Cl O P2 Pd | P 1 21/n 1 | 11.0213; 23.615; 16.094 90; 105.537; 90 | 4035.7 | Chatterjee, Anamitra; Hopen Eliasson, Sondre H.; Törnroos, Karl W.; Jensen, Vidar R. Palladium Precatalysts for Decarbonylative Dehydration of Fatty Acids to Linear Alpha Olefins ACS Catalysis, 2016, 6, 7784 |
4513975 | CIF | C11 H13 Br O2 S | P 1 21 1 | 9.6991; 9.587; 13.7942 90; 105.113; 90 | 1238.29 | Zhou, Pengfei; Cai, Yunfei; Zhong, Xia; Luo, Weiwei; Kang, Tengfei; Li, Jun; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming Catalytic Asymmetric Intra- and Intermolecular Haloetherification of Enones: An Efficient Approach to (−)-Centrolobine ACS Catalysis, 2016, 6, 7778 |
4513976 | CIF | C20 H21 Br O2 | P 1 21 1 | 5.4678; 8.6283; 18.6625 90; 91.41; 90 | 880.19 | Zhou, Pengfei; Cai, Yunfei; Zhong, Xia; Luo, Weiwei; Kang, Tengfei; Li, Jun; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming Catalytic Asymmetric Intra- and Intermolecular Haloetherification of Enones: An Efficient Approach to (−)-Centrolobine ACS Catalysis, 2016, 6, 7778 |
4513977 | CIF | C16 H15 Br O2 | P 1 21 1 | 8.8973; 6.9477; 12.2822 90; 100.56; 90 | 746.37 | Zhou, Pengfei; Cai, Yunfei; Zhong, Xia; Luo, Weiwei; Kang, Tengfei; Li, Jun; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming Catalytic Asymmetric Intra- and Intermolecular Haloetherification of Enones: An Efficient Approach to (−)-Centrolobine ACS Catalysis, 2016, 6, 7778 |
4513979 | CIF | C51 H71 Cu Fe N2 O3 Si2 | P -1 | 10.7287; 11.7933; 20.5611 100.143; 97.14; 93.382 | 2532.29 | Chakraborty, Arundhoti; Kinney, R. Garrison; Krause, Jeanette A.; Guan, Hairong Cooperative Iron‒Oxygen‒Copper Catalysis in the Reduction of Benzaldehyde under Water-Gas Shift Reaction Conditions ACS Catalysis, 2016, 6, 7855 |
4513980 | CIF | C52 H63 Cu D6 Fe N2 O3 | P 1 21/n 1 | 11.9549; 10.1772; 40.3744 90; 95.356; 90 | 4890.8 | Chakraborty, Arundhoti; Kinney, R. Garrison; Krause, Jeanette A.; Guan, Hairong Cooperative Iron‒Oxygen‒Copper Catalysis in the Reduction of Benzaldehyde under Water-Gas Shift Reaction Conditions ACS Catalysis, 2016, 6, 7855 |
4513981 | CIF | C34 H51 Fe N2 P | C 1 2/c 1 | 20.4853; 14.08083; 22.6949 90; 95.5664; 90 | 6515.47 | Espinal-Viguri, Maialen; King, Andrew K.; Lowe, John P.; Mahon, Mary F.; Webster, Ruth L. Hydrophosphination of Unactivated Alkenes and Alkynes Using Iron(II): Catalysis and Mechanistic Insight ACS Catalysis, 2016, 6, 7892 |
4513983 | CIF | C60.38 H57 Cl1.75 N4 O9 | C 1 2 1 | 33.03; 14.5141; 23.743 90; 106.097; 90 | 10936.1 | Ma, Chao; Huang, Yuan; Zhao, Yu Stereoselective 1,6-Conjugate Addition/Annulation ofpara-Quinone Methides with Vinyl Epoxides/Cyclopropanes ACS Catalysis, 2016, 6, 6408 |
4513984 | CIF | C24 H24 Cl N3 O2 | P 21 21 21 | 10.405; 14.2652; 14.6935 90; 90; 90 | 2180.95 | Bertuzzi, Giulio; Sinisi, Alessandro; Caruana, Lorenzo; Mazzanti, Andrea; Fochi, Mariafrancesca; Bernardi, Luca Catalytic Enantioselective Addition of Indoles to ActivatedN-Benzylpyridinium Salts: Nucleophilic Dearomatization of Pyridines with Unusual C-4 Regioselectivity ACS Catalysis, 2016, 6, 6473 |
4513985 | CIF | C16 H24 I2 N8 Ni | P -1 | 8.3462; 8.4556; 8.796 113.763; 101.75; 91.594 | 552.02 | Lu, Zhiyao; Williams, Travis J. Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions ACS Catalysis, 2016, 6, 6670 |
4513986 | CIF | C16 H24 B2 N8 Ni | P 1 21/n 1 | 6.8569; 16.0355; 8.668 90; 98.926; 90 | 941.54 | Lu, Zhiyao; Williams, Travis J. Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions ACS Catalysis, 2016, 6, 6670 |
4516694 | CIF | C24 H25 N3 O2 | P 21 21 21 | 5.1839; 17.316; 23.0197 90; 90; 90 | 2066.35 | Qureshi, Zafar; Kim, Jung Yun; Bruun, Theodora; Lam, Heather; Lautens, Mark Cu/Pd-Catalyzed Synthesis of Fully Decorated Polycyclic Triazoles: Introducing C‒H Functionalization to Multicomponent Multicatalytic Reactions ((MC)2R) ACS Catalysis, 2016, 6, 4946 |
4516695 | CIF | C62 H81 O5 Si Y | P -1 | 12.0346; 14.3451; 16.9307 101.182; 90.368; 96 | 2850.61 | Xu, Tie-Qi; Yang, Guan-Wen; Lu, Xiao-Bing Highly Isotactic and High-Molecular-Weight Poly(2-vinylpyridine) by Coordination Polymerization with Yttrium Bis(phenolate) Ether Catalysts ACS Catalysis, 2016, 6, 4907 |
4516696 | CIF | C76 H87 Co N6 O2 Si2 | P 1 21 1 | 12.1686; 15.7163; 17.6104 90; 100.762; 90 | 3308.67 | Ibrahim, Abdulrahman D.; Entsminger, Steven W.; Zhu, Lingyang; Fout, Alison R. A Highly Chemoselective Cobalt Catalyst for the Hydrosilylation of Alkenes using Tertiary Silanes and Hydrosiloxanes ACS Catalysis, 2016, 6, 3589 |
4516697 | CIF | C168 H156 Cl4 N20 P4 Ru4 | P -4 | 19.0698; 19.0698; 9.8294 90; 90; 90 | 3574.5 | Hale, Lillian V. A.; Malakar, Tanmay; Tseng, Kuei-Nin T.; Zimmerman, Paul M.; Paul, Ankan; Szymczak, Nathaniel K. The Mechanism of Acceptorless Amine Double Dehydrogenation byN,N,N-Amide Ruthenium(II) Hydrides: A Combined Experimental and Computational Study ACS Catalysis, 2016, 6, 4799 |
4516698 | CIF | C184 H164 N24 P4 Ru4 | P 1 21/n 1 | 12.9692; 16.8857; 17.268 90; 90.769; 90 | 3781.2 | Hale, Lillian V. A.; Malakar, Tanmay; Tseng, Kuei-Nin T.; Zimmerman, Paul M.; Paul, Ankan; Szymczak, Nathaniel K. The Mechanism of Acceptorless Amine Double Dehydrogenation byN,N,N-Amide Ruthenium(II) Hydrides: A Combined Experimental and Computational Study ACS Catalysis, 2016, 6, 4799 |
4516699 | CIF | C23 H21 Cl N O2 | P 21 21 21 | 9.5413; 12.5331; 16.6646 90; 90; 90 | 1992.8 | Zhang, Ming; Sun, Wangsheng; Zhu, Gongming; Bao, Guangjun; Zhang, Bangzhi; Hong, Liang; Li, Min; Wang, Rui Enantioselective Dearomative Arylation of Isoquinolines ACS Catalysis, 2016, 6, 5290 |
4516700 | CIF | C38 H27 N O | P -1 | 11.23; 12.753; 20.255 85.686; 80.147; 74.114 | 2747.7 | Li, Xingwei; Yang, Xifa; Qi, Zisong Synthesis of Cyclopentadienols by Rhodium-Catalyzed C‒H Activation of 8-Formylquinolines and [2+2+1] Carbocyclization with Alkynes ACS Catalysis, 2016, 6, 6372 |
4516701 | CIF | C26 H35 O5 P | P 1 21/n 1 | 9.4338; 11.4458; 23.1231 90; 97.4269; 90 | 2475.83 | Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins ACS Catalysis, 2016, 6, 7554 |
4516702 | CIF | C7 H5 O4 P | P 1 21/n 1 | 4.5729; 14.1363; 11.7191 90; 100.631; 90 | 744.57 | Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins ACS Catalysis, 2016, 6, 7554 |
4516703 | CIF | C48 H53 O12 P2 Rh | P -1 | 10.8599; 15.1287; 15.5406 102.742; 101.78; 100.56 | 2367.22 | Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins ACS Catalysis, 2016, 6, 7554 |
4516704 | CIF | C18 H19 O5 P | P 1 21/c 1 | 7.9973; 11.7658; 18.4161 90; 93.7246; 90 | 1729.2 | Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins ACS Catalysis, 2016, 6, 7554 |
4516705 | CIF | C24 H27 N O4 S | P -1 | 8.6854; 11.1584; 12.3533 110.734; 96.486; 95.657 | 1100.08 | Teske, Johannes; Plietker, Bernd A Redox-Neutral Fe-Catalyzed Cycloisomerization of Enyne Acetates ACS Catalysis, 2016, 6, 7148 |
4516706 | CIF | C39 H32 B Cl2 F4 Fe N O3 P2 | P 1 21/n 1 | 16.7984; 13.6152; 16.9579 90; 103.928; 90 | 3764.5 | Teske, Johannes; Plietker, Bernd A Redox-Neutral Fe-Catalyzed Cycloisomerization of Enyne Acetates ACS Catalysis, 2016, 6, 7148 |
4516707 | CIF | C40 H34 B Cl3 F4 Fe N2 O2 P2 | P -1 | 12.2695; 12.9467; 14.1404 78.636; 69.027; 83.561 | 2054.1 | Teske, Johannes; Plietker, Bernd A Redox-Neutral Fe-Catalyzed Cycloisomerization of Enyne Acetates ACS Catalysis, 2016, 6, 7148 |
4516708 | CIF | C18 H21 F3 N4 Ni O3 S | P 1 21/n 1 | 6.9941; 17.4234; 17.1188 90; 98.8919; 90 | 2061.04 | Wei, Yingfei; Liu, Shi-Xia; Mueller-Bunz, Helge; Albrecht, Martin Synthesis of Triazolylidene Nickel Complexes and Their Catalytic Application in Selective Aldehyde Hydrosilylation ACS Catalysis, 2016, 6, 8192 |
4516709 | CIF | C15 H16 I N3 Ni O | P 1 21/c 1 | 13.4405; 10.5724; 11.268 90; 93.709; 90 | 1597.81 | Wei, Yingfei; Liu, Shi-Xia; Mueller-Bunz, Helge; Albrecht, Martin Synthesis of Triazolylidene Nickel Complexes and Their Catalytic Application in Selective Aldehyde Hydrosilylation ACS Catalysis, 2016, 6, 8192 |
4516710 | CIF | C18 H21 F3 N4 Ni O3 S | C 1 2/c 1 | 14.416; 11.0236; 25.901 90; 98.801; 90 | 4067.62 | Wei, Yingfei; Liu, Shi-Xia; Mueller-Bunz, Helge; Albrecht, Martin Synthesis of Triazolylidene Nickel Complexes and Their Catalytic Application in Selective Aldehyde Hydrosilylation ACS Catalysis, 2016, 6, 8192 |
4516711 | CIF | C40 H46 Fe N4 O3 | P b c n | 24.0256; 13.1262; 22.3213 90; 90; 90 | 7039.4 | MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P. Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration ACS Catalysis, 2016, 6, 7217 |
4516712 | CIF | C150 H162 F12 Fe4 N12 O6 P2 | P 21 21 2 | 22.7811; 22.9453; 13.3383 90; 90; 90 | 6972.2 | MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P. Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration ACS Catalysis, 2016, 6, 7217 |
4516713 | CIF | C36 H36 Fe N6 O6 | P 1 21/n 1 | 8.0949; 23.7481; 17.1961 90; 97.427; 90 | 3278.02 | MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P. Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration ACS Catalysis, 2016, 6, 7217 |
4516714 | CIF | C42 H50 Fe N4 O5 | P 1 21 1 | 15.49431; 16.23501; 15.84297 90; 107.287; 90 | 3805.28 | MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P. Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration ACS Catalysis, 2016, 6, 7217 |
4516715 | CIF | C16 H15 N3 O4 | P 1 21/c 1 | 10.2029; 19.4064; 7.7687 90; 91.548; 90 | 1537.7 | Prieto, Alexis; Bouyssi, Didier; Monteiro, Nuno Copper-Catalyzed Double C‒H Alkylation of Aldehyde-Derived N,N-Dialkylhydrazones with Polyhalomethanes: Flexible Access to 4-Functionalized Pyrazoles ACS Catalysis, 2016, 6, 7197 |
4516716 | CIF | C33 H22 Cl3 N4 Ni O2 | P -1 | 9.0058; 9.3091; 17.9195 79.797; 80.388; 89.868 | 1457.21 | He, Zhiqi; Huang, Yong Diverting C‒H Annulation Pathways: Nickel-Catalyzed Dehydrogenative Homologation of Aromatic Amides ACS Catalysis, 2016, 6, 7814 |
4516717 | CIF | C45 H29 F4 N2 O2 | C 1 2 1 | 29.3161; 8.847; 16.2475 90; 122.222; 90 | 3564.9 | He, Zhiqi; Huang, Yong Diverting C‒H Annulation Pathways: Nickel-Catalyzed Dehydrogenative Homologation of Aromatic Amides ACS Catalysis, 2016, 6, 7814 |
4516718 | CIF | C19 H22 O5 S | P 21 21 21 | 5.6343; 17.0439; 18.3976 90; 90; 90 | 1766.73 | Gutiérrez-Bonet, Álvaro; Tellis, John C.; Matsui, Jennifer K.; Vara, Brandon A.; Molander, Gary A. 1,4-Dihydropyridines as Alkyl Radical Precursors: Introducing the Aldehyde Feedstock to Nickel/Photoredox Dual Catalysis. ACS catalysis, 2016, 6, 8004-8008 |
4516719 | CIF | C22 H40 Cl2 N2 Ni O5 | C 1 2/c 1 | 13.0843; 30.4; 6.6223 90; 92.47; 90 | 2631.7 | Gutiérrez-Bonet, Álvaro; Tellis, John C.; Matsui, Jennifer K.; Vara, Brandon A.; Molander, Gary A. 1,4-Dihydropyridines as Alkyl Radical Precursors: Introducing the Aldehyde Feedstock to Nickel/Photoredox Dual Catalysis. ACS catalysis, 2016, 6, 8004-8008 |
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