Crystallography Open Database
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Searching journal of publication like 'ACS Catalysis' volume of publication is 6
| COD ID: 4513735 | |
| CIF file | Formula: - C29 H32 N2 O2 - Comments: 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 6(1) (2016) 186 Space group: P 1 21/n 1 Cell volume: 2584.5 Cell parameters: 8.6895; 9.8563; 30.266; 90; 94.399; 90; |
| COD ID: 4513736 | |
| CIF file | Formula: - C23 H20 N2 O - Comments: 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 6(1) (2016) 451 Space group: P 1 21/n 1 Cell volume: 1720.9 Cell parameters: 12.864; 9.812; 13.652; 90; 92.938; 90; |
| COD ID: 4513737 | |
| CIF file | Formula: - C18 H11 F5 N2 O2 - Comments: 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 6(1) (2016) 451 Space group: P 1 21/c 1 Cell volume: 1569.4 Cell parameters: 11.342; 6.528; 21.294; 90; 95.503; 90; |
| COD ID: 4513738 | |
| CIF file | Formula: - C21 H21 N3 - Comments: 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 6(1) (2016) 451 Space group: P -1 Cell volume: 854.3 Cell parameters: 7.784; 10.507; 11.117; 106.154; 96.466; 97.82; |
| COD ID: 4513739 | |
| CIF file | Formula: - C25 H19 F N2 O2 - Comments: 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 6(1) (2016) 451 Space group: P 1 21/n 1 Cell volume: 1873.6 Cell parameters: 12.243; 7.246; 21.867; 90; 105.022; 90; |
| COD ID: 4513740 | |
| CIF file | Formula: - C18 H15 Br N2 O2 - Comments: 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 6(1) (2016) 451 Space group: P 1 21/n 1 Cell volume: 1537.7 Cell parameters: 10.221; 6.258; 24.249; 90; 97.531; 90; |
| COD ID: 4513741 | |
| CIF file | Formula: - C25.57 H21.14 Cl1.13 N2 O2 - Comments: 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 6(1) (2016) 451 Space group: P 1 21 1 Cell volume: 1066.25 Cell parameters: 12.2626; 7.2788; 12.3394; 90; 104.51; 90; |
| COD ID: 4513742 | |
| CIF file | Formula: - C20 H18 N2 O2 - Comments: 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 6(1) (2016) 451 Space group: P 1 c 1 Cell volume: 764.5 Cell parameters: 5.238; 12.589; 11.597; 90; 91.334; 90; |
| COD ID: 4513743 | |
| CIF file | Formula: - C18 H14 Br N3 - Comments: 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 6(1) (2016) 451 Space group: P 1 21/c 1 Cell volume: 1547.89 Cell parameters: 8.6369; 26.751; 6.9978; 90; 106.79; 90; |
| COD ID: 4513744 | |
| CIF file | Formula: - C19 H18 N2 O2 - Comments: 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 6(1) (2016) 451 Space group: P 1 21/c 1 Cell volume: 3097.1 Cell parameters: 9.882; 36.918; 8.62; 90; 99.99; 90; |
| COD ID: 4513745 | |
| CIF file | Formula: - C26 H22 N2 O3 - Comments: 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 6(1) (2016) 451 Space group: P 1 21/n 1 Cell volume: 1989.7 Cell parameters: 12.352; 7.361; 22.122; 90; 98.421; 90; |
| COD ID: 4513746 | |
| CIF file | Formula: - C20 H18 N2 O2 - Comments: 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 6(1) (2016) 451 Space group: P 1 21 1 Cell volume: 784.75 Cell parameters: 11.035; 6.9; 11.373; 90; 115.012; 90; |
| COD ID: 4513747 | |
| CIF file | Formula: - C22 H13 F5 N4 O2 - Comments: 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 6(2) (2016) 589 Space group: P 1 21 1 Cell volume: 1017.57 Cell parameters: 7.91984; 7.77745; 16.8551; 90; 101.445; 90; |
| COD ID: 4513748 | |
| CIF file | Formula: - C23.73 H18.45 Cl0.7 N O3.12 S - Comments: 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 6(1) (2016) 348 Space group: P 21 21 2 Cell volume: 2024.6 Cell parameters: 9.7227; 23.8357; 8.7364; 90; 90; 90; |
| COD ID: 4513749 | |
| CIF file | Formula: - C30 H25 N O3 S - Comments: 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 6(1) (2016) 348 Space group: P 1 21 1 Cell volume: 1215.78 Cell parameters: 5.9234; 17.5385; 11.7578; 90; 95.5438; 90; |
| COD ID: 4513750 | |
| CIF file | Formula: - C19 H16 N2 O S - Comments: 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 6(1) (2016) 348 Space group: P 21 21 21 Cell volume: 1568.31 Cell parameters: 9.8811; 10.2565; 15.4749; 90; 90; 90; |
| COD ID: 4513751 | |
| CIF file | Formula: - C22 H19 F N2 O - Comments: Hiramatsu, Kenichi; Honjo, Takashi; Rauniyar, Vivek; Toste, F. Dean Enantioselective Synthesis of Fluoro-Dihydroquinazolones and -Benzooxazinones by Fluorination-Initiated Asymmetric Cyclization Reactions. ACS catalysis 6(1) (2015) 151-154 Space group: P b c a Cell volume: 3440.1 Cell parameters: 13.5231; 13.1489; 19.3467; 90; 90; 90; |
| COD ID: 4513752 | |
| CIF file | Formula: - C12 H15 F N2 O - Comments: Hiramatsu, Kenichi; Honjo, Takashi; Rauniyar, Vivek; Toste, F. Dean Enantioselective Synthesis of Fluoro-Dihydroquinazolones and -Benzooxazinones by Fluorination-Initiated Asymmetric Cyclization Reactions. ACS catalysis 6(1) (2015) 151-154 Space group: P 1 21 1 Cell volume: 559.66 Cell parameters: 7.6084; 6.4312; 11.7689; 90; 103.627; 90; |
| COD ID: 4513753 | |
| CIF file | Formula: - C13 H4 F5 N S - Comments: Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis ACS Catalysis 6(1) (2016) 369 Space group: P 1 21/c 1 Cell volume: 1102.24 Cell parameters: 14.407; 7.3079; 11.1275; 90; 109.808; 90; |
| COD ID: 4513754 | |
| CIF file | Formula: - C12 H6 F4 - Comments: Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis ACS Catalysis 6(1) (2016) 369 Space group: P 1 21/c 1 Cell volume: 916.72 Cell parameters: 12.8062; 5.84755; 12.6869; 90; 105.223; 90; |
| COD ID: 4513755 | |
| CIF file | Formula: - C13 H5 F7 - Comments: Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis ACS Catalysis 6(1) (2016) 369 Space group: P 21 21 21 Cell volume: 1061.22 Cell parameters: 5.92801; 7.5738; 23.6364; 90; 90; 90; |
| COD ID: 4513756 | |
| CIF file | Formula: - C12 H5 F5 - Comments: Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis ACS Catalysis 6(1) (2016) 369 Space group: C 2 2 21 Cell volume: 935.81 Cell parameters: 5.80768; 20.9642; 7.68611; 90; 90; 90; |
| COD ID: 4513757 | |
| CIF file | Formula: - C37 H40 Br N O3 - Comments: 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 6(2) (2016) 652 Space group: P 21 21 21 Cell volume: 3217.2 Cell parameters: 10.038; 15.921; 20.131; 90; 90; 90; |
| COD ID: 4513758 | |
| CIF file | Formula: - C22 H20 F3 N O - Comments: 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 6(2) (2016) 526 Space group: P b c a Cell volume: 3682.8 Cell parameters: 19.0615; 9.325; 20.7194; 90; 90; 90; |
| COD ID: 4513759 | |
| CIF file | Formula: - C36 H44 Er N O Si2 - Comments: 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 6(1) (2016) 176 Space group: P 1 21/c 1 Cell volume: 3382.2 Cell parameters: 16.5508; 9.9149; 20.9543; 90; 100.391; 90; |
| COD ID: 4513760 | |
| CIF file | Formula: - C36 H44 Gd N O Si2 - Comments: 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 6(1) (2016) 176 Space group: P 1 21/c 1 Cell volume: 3425.8 Cell parameters: 16.5847; 9.9933; 21.0068; 90; 100.271; 90; |
| COD ID: 4513761 | |
| CIF file | Formula: - C36 H44 N Nd O Si2 - Comments: 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 6(1) (2016) 176 Space group: P 1 21/c 1 Cell volume: 3432.6 Cell parameters: 16.5572; 10.0221; 21.0296; 90; 100.37; 90; |
| COD ID: 4513762 | |
| CIF file | Formula: - C31 H44 N O Pr Si2 - Comments: 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 6(1) (2016) 176 Space group: P 1 21/c 1 Cell volume: 3220.3 Cell parameters: 14.6913; 11.3369; 19.4321; 90; 95.729; 90; |
| COD ID: 4513779 | |
| CIF file | Formula: - C18 H22 Cl N3 Ni - Comments: 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 6(1) (2016) 258 Space group: P 1 21/c 1 Cell volume: 3353.4 Cell parameters: 17.067; 10.4806; 18.8193; 90; 95.005; 90; |
| COD ID: 4513780 | |
| CIF file | Formula: - C15 H13 Br N2 O3 S - Comments: 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 6(2) (2016) 661 Space group: P 1 Cell volume: 825.44 Cell parameters: 8.9143; 10.0383; 10.4508; 106.994; 96.214; 108.761; |
| COD ID: 4513781 | |
| CIF file | Formula: - C14 H13 N3 - Comments: 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 6(2) (2016) 647 Space group: P b c a Cell volume: 2302.1 Cell parameters: 6.9469; 15.845; 20.914; 90; 90; 90; |
| COD ID: 4513782 | |
| CIF file | Formula: - C46 H45 B Cl F4 Fe N2 O P2 - Comments: 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 6(1) (2016) 301 Space group: P 21 21 2 Cell volume: 4085.5 Cell parameters: 18.2664; 21.4148; 10.4443; 90; 90; 90; |
| COD ID: 4513783 | |
| CIF file | Formula: - C45 H43 Cl Fe N2 O P2 - Comments: 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 6(1) (2016) 301 Space group: P 21 21 21 Cell volume: 3906.2 Cell parameters: 11.0847; 13.0101; 27.0865; 90; 90; 90; |
| COD ID: 4513784 | |
| CIF file | Formula: - C27 H38 B Br O3 - Comments: 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 6(1) (2016) 442-446 Space group: P 32 2 1 Cell volume: 4067.28 Cell parameters: 13.3911; 13.3911; 26.1903; 90; 90; 120; |
| COD ID: 4513793 | |
| CIF file | Formula: - C43 H44 O5.5 P - Comments: 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 6(2) (2016) 949 Space group: P 1 21 1 Cell volume: 7834.3 Cell parameters: 15.3957; 31.578; 17.2918; 90; 111.265; 90; |
| COD ID: 4513794 | |
| CIF file | Formula: - C112 H91 F12 N O16 P4 - Comments: 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 6(2) (2016) 949 Space group: P 31 2 1 Cell volume: 17042.3 Cell parameters: 24.1287; 24.1287; 33.801; 90; 90; 120; |
| COD ID: 4513795 | |
| CIF file | Formula: - C18 H19 N3 O3 - Comments: 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 6(2) (2016) 969-973 Space group: P 1 21/n 1 Cell volume: 1604 Cell parameters: 10.383; 10.981; 14.706; 90; 106.941; 90; |
| COD ID: 4513796 | |
| CIF file | Formula: - C20 H16 F N3 O - Comments: 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 6(2) (2016) 969-973 Space group: P 1 21/c 1 Cell volume: 1619 Cell parameters: 13.206; 7.219; 17.366; 90; 102.062; 90; |
| COD ID: 4513797 | |
| CIF file | Formula: - C24 H34 F6 Mn N4 O8 S2 - Comments: 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 6(2) (2016) 979 Space group: P 1 21/c 1 Cell volume: 3249.64 Cell parameters: 18.0992; 9.65395; 19.7948; 90; 110.024; 90; |
| COD ID: 4513798 | |
| CIF file | Formula: - C18 H10 F3 N O2 - Comments: 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 6(2) (2016) 1024 Space group: P 1 21/n 1 Cell volume: 1387.6 Cell parameters: 7.3858; 11.7473; 16.1486; 90; 97.962; 90; |
| COD ID: 4513799 | |
| CIF file | Formula: - C22 H13 N O2 - Comments: 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 6(2) (2016) 1024 Space group: P 1 21/c 1 Cell volume: 1581 Cell parameters: 6.1061; 22.232; 11.7017; 90; 95.582; 90; |
| COD ID: 4513801 | |
| CIF file | Formula: - C23 H21 F2 N O - Comments: 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 6(2) (2016) 1198 Space group: P 1 21 1 Cell volume: 3951.19 Cell parameters: 11.6562; 21.5144; 16.1302; 90; 102.368; 90; |
| COD ID: 4513802 | |
| CIF file | Formula: - C30 H41 Al Br2 N2 O3 - Comments: 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 6(2) (2016) 1215-1224 Space group: P 1 21/n 1 Cell volume: 3005.3 Cell parameters: 11.4113; 21.0276; 12.5491; 90; 93.583; 90; |
| COD ID: 4513803 | |
| CIF file | Formula: - C42 H40 N2 O P2 Ru - Comments: 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 6(2) (2016) 1247 Space group: P 1 21/c 1 Cell volume: 4384.1 Cell parameters: 9.894; 19.922; 22.901; 90; 103.78; 90; |
| COD ID: 4513804 | |
| CIF file | Formula: - C10 H15 N O - Comments: 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 6(2) (2016) 1247 Space group: P 21 21 21 Cell volume: 937.5 Cell parameters: 6.8744; 8.6699; 15.729; 90; 90; 90; |
| COD ID: 4513806 | |
| CIF file | Formula: - C31 H33 Fe P S - Comments: 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 6(2) (2016) 1308 Space group: P 1 21 1 Cell volume: 1345.14 Cell parameters: 8.6051; 8.456; 18.6229; 90; 96.947; 90; |
| COD ID: 4513807 | |
| CIF file | Formula: - C26 H21 N - Comments: 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 6(3) (2016) 1559 Space group: P -1 Cell volume: 987.01 Cell parameters: 8.219; 10.1031; 12.1768; 86.213; 78.34; 86.602; |
| COD ID: 4513808 | |
| CIF file | Formula: - C14 H17 N O3 S - Comments: 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 6(3) (2016) 1565 Space group: P -1 Cell volume: 1384.7 Cell parameters: 6.1084; 14.9045; 15.5068; 85.229; 81.551; 83.644; |
| COD ID: 4513809 | |
| CIF file | Formula: - C22 H23 N O3 S - Comments: 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 6(3) (2016) 1565 Space group: P 1 21/n 1 Cell volume: 1952.46 Cell parameters: 9.51; 13.531; 15.5036; 90; 101.853; 90; |
| COD ID: 4513810 | |
| CIF file | Formula: - C12 H13 N O3 S - Comments: 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 6(3) (2016) 1565 Space group: P -1 Cell volume: 584.71 Cell parameters: 7.4674; 8.2917; 10.159; 84.506; 89.933; 69.136; |
| COD ID: 4513811 | |
| CIF file | Formula: - C22 H17 N O3 S - Comments: 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 6(3) (2016) 1565 Space group: P 1 21/n 1 Cell volume: 3586.9 Cell parameters: 10.3225; 20.9863; 16.6431; 90; 95.815; 90; |
| COD ID: 4513812 | |
| CIF file | Formula: - C22 H17 N O3 S - Comments: 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 6(3) (2016) 1565 Space group: P -1 Cell volume: 893.63 Cell parameters: 8.5582; 10.1474; 11.3665; 114.204; 92.3803; 95.0132; |
| COD ID: 4513813 | |
| CIF file | Formula: - C13 H15 N O3 S - Comments: 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 6(3) (2016) 1565 Space group: P 1 21/c 1 Cell volume: 1281.57 Cell parameters: 15.7908; 6.1888; 13.6788; 90; 106.523; 90; |
| COD ID: 4513814 | |
| CIF file | Formula: - C13 H15 N O3 S - Comments: 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 6(3) (2016) 1565 Space group: P 21 21 21 Cell volume: 1277.89 Cell parameters: 6.4715; 12.2935; 16.0625; 90; 90; 90; |
| COD ID: 4513815 | |
| CIF file | Formula: - C17 H17 N3 O - Comments: 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 6(3) (2016) 1921-1928 Space group: P 1 21 1 Cell volume: 704.524 Cell parameters: 8.6937; 8.2505; 9.8923; 90; 96.8229; 90; |
| COD ID: 4513816 | |
| CIF file | Formula: - C33 H27 F2 N O4 - Comments: 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 6(3) (2016) 1971 Space group: P -1 Cell volume: 2714.2 Cell parameters: 7.9794; 12.355; 27.87; 83.268; 84.119; 89.549; |
| COD ID: 4513817 | |
| CIF file | Formula: - C63 H53 B Cl N4 O3 P Ru - Comments: 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 6(3) (2016) 1981 Space group: P 1 21/c 1 Cell volume: 6239.7 Cell parameters: 10.0715; 28.3272; 21.8875; 90; 92.226; 90; |
| COD ID: 4513818 | |
| CIF file | Formula: - C38 H36 Cl F6 N3 O4 P2 Ru - Comments: 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 6(3) (2016) 1981 Space group: P 1 21/n 1 Cell volume: 3706 Cell parameters: 14.0112; 9.7442; 27.2179; 90; 94.215; 90; |
| COD ID: 4513819 | |
| CIF file | Formula: - C21 H29 Cl F6 N3 O2 P3 Ru - Comments: 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 6(3) (2016) 1981 Space group: P 1 21/n 1 Cell volume: 2717.3 Cell parameters: 12.1467; 17.3624; 12.8848; 90; 90.182; 90; |
| COD ID: 4513820 | |
| CIF file | Formula: - C33 H26 Cl2 N3 O2 P Ru - Comments: 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 6(3) (2016) 1981 Space group: P 1 21/n 1 Cell volume: 2890.9 Cell parameters: 11.6136; 17.269; 14.4146; 90; 90.128; 90; |
| COD ID: 4513821 | |
| CIF file | Formula: - C69 H53 N6 O5 P2 Ru2 - Comments: 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 6(3) (2016) 1981 Space group: C 1 2/c 1 Cell volume: 11041.1 Cell parameters: 38.209; 13.4891; 24.3071; 90; 118.199; 90; |
| COD ID: 4513822 | |
| CIF file | Formula: - C19 H23 F3 Ir N3 O3 S - Comments: 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 6(3) (2016) 2014 Space group: P 1 21/c 1 Cell volume: 2114.8 Cell parameters: 14.9292; 12.2212; 12.2965; 90; 109.506; 90; |
| COD ID: 4513823 | |
| CIF file | Formula: - C27 H31 F3 Ir N3 O3 S - Comments: 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 6(3) (2016) 2014 Space group: P 1 21/c 1 Cell volume: 5771.7 Cell parameters: 11.0313; 26.4631; 19.9865; 90; 98.415; 90; |
| COD ID: 4513824 | |
| CIF file | Formula: - C2 H5 Na3 O8 - Comments: 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 6(3) (2016) 2014 Space group: C 1 2/c 1 Cell volume: 696.15 Cell parameters: 20.3758; 3.4577; 10.3049; 90; 106.491; 90; |
| COD ID: 4513825 | |
| CIF file | Formula: - C28 H33 B O2 Si - Comments: 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 6(4) (2016) 2192 Space group: P -1 Cell volume: 1254 Cell parameters: 9.8337; 11.7927; 12.4336; 112.475; 96.966; 104.18; |
| COD ID: 4513826 | |
| CIF file | Formula: - C33 H49 N4 Pd Si2 - Comments: 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 6(4) (2016) 2192 Space group: P -1 Cell volume: 1729.87 Cell parameters: 11.8802; 12.1897; 13.9679; 86.341; 73.708; 63.295; |
| COD ID: 4513827 | |
| CIF file | Formula: - C28 H47 B N4 O2 Pd Si - Comments: 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 6(4) (2016) 2192 Space group: P 1 21/n 1 Cell volume: 3138.98 Cell parameters: 12.9381; 17.8318; 14.8311; 90; 113.454; 90; |
| COD ID: 4513837 | |
| CIF file | Formula: - C23 H26 I2 Ir N3 - Comments: Semwal, Shrivats; Choudhury, Joyanta Molecular Coordination-Switch in a New Role: Controlling Highly Selective Catalytic Hydrogenation with Switchability Function ACS Catalysis 6(4) (2016) 2424 Space group: P 1 21/c 1 Cell volume: 2488.79 Cell parameters: 17.0173; 7.793; 19.3018; 90; 103.52; 90; |
| COD ID: 4513838 | |
| CIF file | Formula: - C23 H25 I Ir N3 - Comments: Semwal, Shrivats; Choudhury, Joyanta Molecular Coordination-Switch in a New Role: Controlling Highly Selective Catalytic Hydrogenation with Switchability Function ACS Catalysis 6(4) (2016) 2424 Space group: P -1 Cell volume: 1092.13 Cell parameters: 9.2675; 10.21; 12.0027; 79.971; 78.553; 83.299; |
| COD ID: 4513839 | |
| CIF file | Formula: - C21 H19 N O4 - Comments: 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 6(4) (2016) 2482 Space group: P 21 21 21 Cell volume: 1929.64 Cell parameters: 7.32516; 13.4286; 19.6168; 90; 90; 90; |
| COD ID: 4513840 | |
| CIF file | Formula: - C17 H10 F6 O2 - Comments: 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 6(4) (2016) 2501 Space group: P 1 21/c 1 Cell volume: 1608.8 Cell parameters: 5.622; 15.483; 18.549; 90; 94.841; 90; |
| COD ID: 4513841 | |
| CIF file | Formula: - C12 H12 O4 - Comments: 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 6(4) (2016) 2501 Space group: P 1 21/n 1 Cell volume: 1092.13 Cell parameters: 4.5824; 19.9078; 12.0067; 90; 94.374; 90; |
| COD ID: 4513842 | |
| CIF file | Formula: - C67 H16 B2 Cl2 F40 Fe4 O12 S4 - Comments: 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 6(4) (2016) 2559 Space group: P c a 21 Cell volume: 7779.3 Cell parameters: 17.7344; 14.2966; 30.6824; 90; 90; 90; |
| COD ID: 4513843 | |
| CIF file | Formula: - C36 H5 B F20 Fe2 O6 S2 - Comments: 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 6(4) (2016) 2559 Space group: P b c a Cell volume: 7759.9 Cell parameters: 16.0418; 20.9445; 23.0959; 90; 90; 90; |
| COD ID: 4513844 | |
| CIF file | Formula: - C33 H7 B Cl2 F20 Fe2 O6 S2 - Comments: 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 6(4) (2016) 2559 Space group: C 1 c 1 Cell volume: 4017.3 Cell parameters: 22.9134; 12.3868; 17.2161; 90; 124.699; 90; |
| COD ID: 4513845 | |
| CIF file | Formula: - C11 H7 F9 Fe2 O15 S5 - Comments: 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 6(4) (2016) 2559 Space group: P 1 21/m 1 Cell volume: 1332.85 Cell parameters: 6.4147; 18.5996; 11.5206; 90; 104.145; 90; |
| COD ID: 4513846 | |
| CIF file | Formula: - C18 H16 O - Comments: 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 6(4) (2016) 2506 Space group: P 1 21 1 Cell volume: 691.51 Cell parameters: 10.5879; 4.8182; 13.6534; 90; 96.876; 90; |
| COD ID: 4513847 | |
| CIF file | Formula: - C18 H14 O - Comments: 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 6(4) (2016) 2506 Space group: P 1 21 1 Cell volume: 682.11 Cell parameters: 10.5044; 4.7708; 13.7318; 90; 97.605; 90; |
| COD ID: 4513848 | |
| CIF file | Formula: - C23 H33 Co N3 O4 - Comments: 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 6(4) (2016) 2632 Space group: P 1 21/c 1 Cell volume: 2386.24 Cell parameters: 8.9984; 21.6663; 12.2395; 90; 90.0826; 90; |
| COD ID: 4513849 | |
| CIF file | Formula: - C21 H35 Co N3 O5 - Comments: 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 6(4) (2016) 2632 Space group: P 1 21/c 1 Cell volume: 2310.63 Cell parameters: 8.9806; 29.3177; 8.8612; 90; 97.9533; 90; |
| COD ID: 4513850 | |
| CIF file | Formula: - C22 H23 Cl Ir N3 O3 - Comments: Ngo, Anh H.; Ibañez, Miguel; Do, Loi H. Catalytic Hydrogenation of Cytotoxic Aldehydes Using Nicotinamide Adenine Dinucleotide (NADH) in Cell Growth Media ACS Catalysis 6(4) (2016) 2637 Space group: P 1 21/c 1 Cell volume: 2126.7 Cell parameters: 15.229; 8.446; 17.388; 90; 108.03; 90; |
| COD ID: 4513853 | |
| CIF file | Formula: - C20 H38 Br Fe N3 O P2 - Comments: 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 6(4) (2016) 2664-2672 Space group: P 1 21 1 Cell volume: 2439.2 Cell parameters: 11.7189; 12.5863; 16.7721; 90; 99.602; 90; |
| COD ID: 4513854 | |
| CIF file | Formula: - C20 H39 Fe N3 O P2 - Comments: 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 6(4) (2016) 2664-2672 Space group: P 1 21/c 1 Cell volume: 2306.5 Cell parameters: 13.7848; 11.7982; 15.4447; 90; 113.332; 90; |
| COD ID: 4513855 | |
| CIF file | Formula: - C29 H26 F3 N3 O6 S - Comments: 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 6(4) (2016) 2689 Space group: P 21 21 21 Cell volume: 2815.08 Cell parameters: 8.33; 21.758; 15.532; 90; 90; 90; |
| COD ID: 4513856 | |
| CIF file | Formula: - C29 H29 N3 O6 S - Comments: 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 6(4) (2016) 2689 Space group: P 21 21 21 Cell volume: 2703.64 Cell parameters: 8.592; 11.328; 27.778; 90; 90; 90; |
| COD ID: 4513857 | |
| CIF file | Formula: - C29 H26 F3 N3 O6 S - Comments: 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 6(4) (2016) 2689 Space group: P -1 Cell volume: 1444.7 Cell parameters: 10.512; 10.602; 13.589; 104.085; 99.52; 91.757; |
| COD ID: 4513858 | |
| CIF file | Formula: - C20 H19 N O2 - Comments: 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 6(4) (2016) 2673 Space group: P 21 21 21 Cell volume: 1544.08 Cell parameters: 7.23695; 9.22435; 23.1301; 90; 90; 90; |
| COD ID: 4513863 | |
| CIF file | Formula: - C33 H38 B Li O2 P2 S2 - Comments: 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 6(5) (2016) 3030 Space group: P -1 Cell volume: 1663.14 Cell parameters: 9.0615; 10.7999; 17.4441; 88.376; 79.606; 82.091; |
| COD ID: 4513864 | |
| CIF file | Formula: - C29 H35 B2 Li O P2 S2 - Comments: 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 6(5) (2016) 3030 Space group: C 1 2/c 1 Cell volume: 3002.52 Cell parameters: 15.4208; 14.8446; 13.1339; 90; 92.9702; 90; |
| COD ID: 4513865 | |
| CIF file | Formula: - C20 H20 O - Comments: 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 6(5) (2016) 3349-3353 Space group: P 21 21 21 Cell volume: 1550 Cell parameters: 8.4103; 8.8487; 20.8277; 90; 90; 90; |
| COD ID: 4513866 | |
| CIF file | Formula: - C36 H32 O2 - Comments: 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 6(5) (2016) 3349-3353 Space group: P 1 21/c 1 Cell volume: 1291.5 Cell parameters: 9.4194; 7.0858; 19.435; 90; 95.373; 90; |
| COD ID: 4513867 | |
| CIF file | Formula: - C20 H19 F O - Comments: 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 6(5) (2016) 3349-3353 Space group: P 21 21 21 Cell volume: 1519.7 Cell parameters: 6.489; 7.157; 32.722; 90; 90; 90; |
| COD ID: 4513868 | |
| CIF file | Formula: - C16 H19.16 N2 O4.58 Pd - Comments: 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 6(5) (2016) 3340-3348 Space group: P 1 21/c 1 Cell volume: 3370.4 Cell parameters: 14.136; 9.529; 25.085; 90; 94.09; 90; |
| COD ID: 4513869 | |
| CIF file | Formula: - C20 H17 N3 O5 Pd - Comments: 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 6(5) (2016) 3340-3348 Space group: P 1 21/n 1 Cell volume: 1833.6 Cell parameters: 11.06; 10.703; 15.879; 90; 102.713; 90; |
| COD ID: 4513870 | |
| CIF file | Formula: - C22 H23 N3 O4 Pd - Comments: 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 6(5) (2016) 3340-3348 Space group: P 1 21/c 1 Cell volume: 2120.8 Cell parameters: 12.472; 8.829; 19.26; 90; 90.22; 90; |
| COD ID: 4513871 | |
| CIF file | Formula: - C19 H26 B N O2 - Comments: 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 6(5) (2016) 3381 Space group: P 1 21 1 Cell volume: 1748.92 Cell parameters: 9.8601; 17.3729; 10.9482; 90; 111.164; 90; |
| COD ID: 4513872 | |
| CIF file | Formula: - C51 H32 N4 O9 Zn2 - Comments: 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 6(5) (2016) 3248 Space group: P 42/m n m Cell volume: 35199 Cell parameters: 36.0683; 36.0683; 27.0566; 90; 90; 90; |
| COD ID: 4513873 | |
| CIF file | Formula: - C15 H19 Ir N2 O6 S - Comments: 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 6(6) (2016) 3418 Space group: P 1 21/c 1 Cell volume: 1884.75 Cell parameters: 8.7413; 14.2966; 15.2329; 90; 98.084; 90; |
| COD ID: 4513878 | |
| CIF file | Formula: - C30 H20 N2 O - Comments: Kumar, Dinesh; Vemula, Sandeep R.; Cook, Gregory R. Merging C‒H Bond Functionalization with Amide Alcoholysis: En Route to 2-Aminopyridines ACS Catalysis 6(6) (2016) 3531 Space group: P 21 21 21 Cell volume: 4235.05 Cell parameters: 9.0933; 20.0387; 23.2417; 90; 90; 90; |
| COD ID: 4513879 | |
| CIF file | Formula: - C33 H23 F3 N2 O4 - Comments: Kumar, Dinesh; Vemula, Sandeep R.; Cook, Gregory R. Merging C‒H Bond Functionalization with Amide Alcoholysis: En Route to 2-Aminopyridines ACS Catalysis 6(6) (2016) 3531 Space group: P 1 21/c 1 Cell volume: 2630.78 Cell parameters: 21.6794; 5.8892; 20.8559; 90; 98.889; 90; |
| COD ID: 4513880 | |
| CIF file | Formula: - C26 H20 N2 O - Comments: Kumar, Dinesh; Vemula, Sandeep R.; Cook, Gregory R. Merging C‒H Bond Functionalization with Amide Alcoholysis: En Route to 2-Aminopyridines ACS Catalysis 6(6) (2016) 3531 Space group: P -1 Cell volume: 1913.41 Cell parameters: 12.5358; 12.9306; 14.235; 66.91; 68.341; 69.341; |
| COD ID: 4513881 | |
| CIF file | Formula: - C27 H20 Br N O3 S - Comments: Sun, Jiaqiong; Zheng, Guangfan; Xiong, Tao; Zhang, Qiao; Zhao, Jinbo; Li, Yan; Zhang, Qian Copper-Catalyzed Hydroxyl-Directed Aminoarylation of Alkynes ACS Catalysis 6(6) (2016) 3674 Space group: P 1 21/c 1 Cell volume: 2295.79 Cell parameters: 12.857; 15.123; 12.073; 90; 102.04; 90; |
| COD ID: 4513882 | |
| CIF file | Formula: - C35 H30 Br N3 O2 - Comments: 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 6(6) (2016) 3708 Space group: P -1 Cell volume: 1469.68 Cell parameters: 10.6203; 11.0296; 13.8669; 102.003; 107.216; 99.873; |
| COD ID: 4513883 | |
| CIF file | Formula: - C27 H26 O3 - Comments: Yan, Jianming; Yoshikai, Naohiko Cobalt-Catalyzed Arylative Cyclization of Acetylenic Esters and Ketones with Arylzinc Reagents through 1,4-Cobalt Migration ACS Catalysis 6(6) (2016) 3738 Space group: P 1 21/c 1 Cell volume: 2091 Cell parameters: 14.1082; 18.267; 8.1718; 90; 96.84; 90; |
| COD ID: 4513884 | |
| CIF file | Formula: - C24 H21 N O2 - Comments: 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 6(6) (2016) 3856 Space group: P 1 21/c 1 Cell volume: 1839.1 Cell parameters: 12.787; 12.7131; 12.427; 90; 114.445; 90; |
| COD ID: 4513885 | |
| CIF file | Formula: - C22 H18 Br N - Comments: 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 6(6) (2016) 3856 Space group: P 1 21/n 1 Cell volume: 1744 Cell parameters: 9.67; 19.62; 9.9545; 90; 112.567; 90; |
| COD ID: 4513886 | |
| CIF file | Formula: - C14 H16 F3 N3 O3 - Comments: Barron, Benedict J.; Wong, Wing-Tak; Chiu, Pauline; Hii, King Kuok “Goldilocks Effect” of Water in Lewis-Brønsted Acid and Base Catalysis ACS Catalysis 6(7) (2016) 4189 Space group: P 21 21 21 Cell volume: 1508.34 Cell parameters: 4.8832; 15.6825; 19.696; 90; 90; 90; |
| COD ID: 4513887 | |
| CIF file | Formula: - C20 H13 N O2 - Comments: 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 6(7) (2016) 4248 Space group: P b c n Cell volume: 3009 Cell parameters: 11.5615; 11.966; 21.75; 90; 90; 90; |
| COD ID: 4513895 | |
| CIF file | Formula: - C20 H24 Cl2 Ir N3 - Comments: 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 6(7) (2016) 4559 Space group: P 21 21 21 Cell volume: 2231 Cell parameters: 9.263; 13.429; 17.935; 90; 90; 90; |
| COD ID: 4513899 | |
| CIF file | Formula: - C69 H64 Cl2 Co F51 N7 O5 - Comments: 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 6(7) (2016) 4647 Space group: P 1 21/c 1 Cell volume: 8822.2 Cell parameters: 24.5991; 14.5605; 25.6393; 90; 106.121; 90; |
| COD ID: 4513900 | |
| CIF file | Formula: - C29 H20 N O3 S - Comments: 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 6(8) (2016) 4914 Space group: P -1 Cell volume: 1325.65 Cell parameters: 9.8908; 10.8195; 12.6228; 82.7016; 87.4478; 81.7877; |
| COD ID: 4513901 | |
| CIF file | Formula: - C25 H22 N2 O6 S - Comments: 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 6(8) (2016) 4914 Space group: P -1 Cell volume: 1127.27 Cell parameters: 6.3051; 8.242; 21.9792; 90.797; 96.108; 96.816; |
| COD ID: 4513903 | |
| CIF file | Formula: - C51 H66 Cl2 N2 O2 Ti - Comments: 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 6(8) (2016) 5138 Space group: P 1 21/c 1 Cell volume: 4834.3 Cell parameters: 13.4223; 15.5169; 23.9951; 90; 104.683; 90; |
| COD ID: 4513904 | |
| CIF file | Formula: - C20 H24 I Ir N2 - Comments: 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 6(8) (2016) 5132 Space group: P 1 21/c 1 Cell volume: 1914 Cell parameters: 13.683; 8.7527; 16.3494; 90; 102.176; 90; |
| COD ID: 4513905 | |
| CIF file | Formula: - C26 H30 I Ir N2 O4 - Comments: 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 6(8) (2016) 5132 Space group: P 1 21/n 1 Cell volume: 2624.8 Cell parameters: 10.646; 17.272; 14.564; 90; 101.437; 90; |
| COD ID: 4513906 | |
| CIF file | Formula: - C26 H30 I N2 O4 Rh - Comments: 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 6(8) (2016) 5132 Space group: P 1 21/n 1 Cell volume: 2611 Cell parameters: 10.6334; 17.2916; 14.4816; 90; 101.307; 90; |
| COD ID: 4513907 | |
| CIF file | Formula: - C16 H30 Ca O12 - Comments: Petrus, Rafał; Bykowski, Dominik; Sobota, Piotr Solvothermal Alcoholysis Routes for Recycling Polylactide Waste as Lactic Acid Esters ACS Catalysis 6(8) (2016) 5222 Space group: C 1 2 1 Cell volume: 1093.7 Cell parameters: 19.697; 5.855; 9.532; 90; 95.8; 90; |
| COD ID: 4513908 | |
| CIF file | Formula: - C20 H40 Ca Cl2 O12 - Comments: Petrus, Rafał; Bykowski, Dominik; Sobota, Piotr Solvothermal Alcoholysis Routes for Recycling Polylactide Waste as Lactic Acid Esters ACS Catalysis 6(8) (2016) 5222 Space group: P 1 Cell volume: 748.4 Cell parameters: 8.768; 9.508; 10.629; 97.45; 100.88; 117.39; |
| COD ID: 4513910 | |
| CIF file | Formula: - C4 H12 Cl2 O2 Pd S2 - Comments: Vemula, Sandeep R.; Kumar, Dinesh; Cook, Gregory R. Palladium-Catalyzed Allylic Amidation with N-Heterocycles via sp3C‒H Oxidation ACS Catalysis 6(8) (2016) 5295 Space group: P 1 21/n 1 Cell volume: 519.5 Cell parameters: 6.266; 9.3515; 9.3563; 90; 108.635; 90; |
| COD ID: 4513911 | |
| CIF file | Formula: - C18 H15 Cl2 Pd2 - Comments: Vemula, Sandeep R.; Kumar, Dinesh; Cook, Gregory R. Palladium-Catalyzed Allylic Amidation with N-Heterocycles via sp3C‒H Oxidation ACS Catalysis 6(8) (2016) 5295 Space group: P 1 21/n 1 Cell volume: 1765.96 Cell parameters: 10.1578; 10.4643; 16.6141; 90; 90.274; 90; |
| COD ID: 4513912 | |
| CIF file | Formula: - C23 H22 N2 O - Comments: 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 6(8) (2016) 5307 Space group: P 21 21 21 Cell volume: 1843.95 Cell parameters: 8.9213; 9.9325; 20.8095; 90; 90; 90; |
| COD ID: 4513918 | |
| CIF file | Formula: - C14 H14 Cl4 N8 Pd2 - Comments: 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 6(8) (2016) 5535 Space group: P 1 21/n 1 Cell volume: 2043.2 Cell parameters: 10.3908; 11.9666; 17.1508; 90; 106.646; 90; |
| COD ID: 4513919 | |
| CIF file | Formula: - C20 H18 Cl4 N8 Pd2 - Comments: 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 6(8) (2016) 5535 Space group: C 1 2/c 1 Cell volume: 2577.3 Cell parameters: 13.098; 14.599; 14.668; 90; 113.234; 90; |
| COD ID: 4513920 | |
| CIF file | Formula: - C20 H18 Cl4 N8 Pd2 - Comments: 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 6(8) (2016) 5535 Space group: P -1 Cell volume: 624.94 Cell parameters: 7.602; 8.298; 10.7372; 99.281; 104.335; 102.182; |
| COD ID: 4513921 | |
| CIF file | Formula: - C15 H18 Cl N3 Ni O - Comments: 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 6(9) (2016) 5666 Space group: C 1 2/c 1 Cell volume: 3039.51 Cell parameters: 14.6259; 13.2292; 16.0114; 90; 101.154; 90; |
| COD ID: 4513922 | |
| CIF file | Formula: - C17 H22 N3 Ni O3.5 - Comments: 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 6(9) (2016) 5666 Space group: P 1 21/c 1 Cell volume: 3508.25 Cell parameters: 15.7724; 14.0286; 16.1653; 90; 101.236; 90; |
| COD ID: 4513923 | |
| CIF file | Formula: - C22 H33 B F4 P Rh - Comments: Strom, Alexandra E.; Balcells, David; Hartwig, John F. Synthetic and Computational Studies on the Rhodium-Catalyzed Hydroamination of Aminoalkenes ACS Catalysis 6(9) (2016) 5651 Space group: C 1 2/c 1 Cell volume: 4422.6 Cell parameters: 26.861; 7.7454; 21.4543; 90; 97.763; 90; |
| COD ID: 4513924 | |
| CIF file | Formula: - C26 H35 B F4 P Rh - Comments: Strom, Alexandra E.; Balcells, David; Hartwig, John F. Synthetic and Computational Studies on the Rhodium-Catalyzed Hydroamination of Aminoalkenes ACS Catalysis 6(9) (2016) 5651 Space group: P -1 Cell volume: 2433 Cell parameters: 10.927; 14.743; 15.848; 106.91; 90.715; 94.619; |
| COD ID: 4513925 | |
| CIF file | Formula: - C22 H35 B F4 P Rh - Comments: Strom, Alexandra E.; Balcells, David; Hartwig, John F. Synthetic and Computational Studies on the Rhodium-Catalyzed Hydroamination of Aminoalkenes ACS Catalysis 6(9) (2016) 5651 Space group: P -1 Cell volume: 1110.7 Cell parameters: 10.1423; 10.3515; 12.0166; 91.342; 100.981; 115.42; |
| COD ID: 4513926 | |
| CIF file | Formula: - C21 H20 Cl N3 O4 - Comments: 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 6(9) (2016) 5685 Space group: P 1 21 1 Cell volume: 1008.1 Cell parameters: 9.48; 5.679; 19.061; 90; 100.77; 90; |
| COD ID: 4513927 | |
| CIF file | Formula: - C21 H20 Cl N3 O4 - Comments: 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 6(9) (2016) 5685 Space group: P 21 21 21 Cell volume: 1863.2 Cell parameters: 7.1807; 13.199; 19.659; 90; 90; 90; |
| COD ID: 4513928 | |
| CIF file | Formula: - C17 H14 O2 - Comments: 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 6(9) (2016) 5735 Space group: P 21 21 21 Cell volume: 1257.51 Cell parameters: 8.6908; 10.3574; 13.9701; 90; 90; 90; |
| COD ID: 4513930 | |
| CIF file | Formula: - C39 H70 O2 P2 Pd2 - Comments: 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 6(9) (2016) 5834 Space group: P 1 21/c 1 Cell volume: 8436.5 Cell parameters: 9.7885; 32.8507; 26.2822; 90; 93.385; 90; |
| COD ID: 4513932 | |
| CIF file | Formula: - C28 H32 F6 N2 O3 Rh S Sb - Comments: 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 6(9) (2016) 5930 Space group: P 1 21/c 1 Cell volume: 3010.2 Cell parameters: 13.8177; 16.467; 14.0445; 90; 109.613; 90; |
| COD ID: 4513933 | |
| CIF file | Formula: - C28 H24 Cl3 N3 O7 S - Comments: 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 6(9) (2016) 5930 Space group: P 1 Cell volume: 1417.6 Cell parameters: 9.8739; 10.6233; 13.8412; 86.937; 77.911; 89.004; |
| COD ID: 4513934 | |
| CIF file | Formula: - C22 H18 N2 O4 S2 - Comments: 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 6(9) (2016) 6055 Space group: P 1 21/c 1 Cell volume: 2123.8 Cell parameters: 17.653; 12.7; 9.4888; 90; 93.31; 90; |
| COD ID: 4513935 | |
| CIF file | Formula: - C29 H25 N O5 - Comments: 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 6(9) (2016) 6146 Space group: P -1 Cell volume: 1179.64 Cell parameters: 9.2103; 9.7574; 14.5275; 75.23; 88.275; 69.461; |
| COD ID: 4513938 | |
| CIF file | Formula: - C25 H31 Cl O2 - Comments: Ma, Chao; Huang, Yuan; Zhao, Yu Stereoselective 1,6-Conjugate Addition/Annulation ofpara-Quinone Methides with Vinyl Epoxides/Cyclopropanes ACS Catalysis 6(10) (2016) 6408 Space group: P 1 21 1 Cell volume: 1110.9 Cell parameters: 9.842; 11.556; 9.8592; 90; 97.807; 90; |
| COD ID: 4513939 | |
| CIF file | Formula: - C39 H46 B2 F8 Fe N4 P2 - Comments: Bigler, Raphael; Huber, Raffael; Stöckli, Marco; Mezzetti, Antonio Iron(II)/(NH)2P2Macrocycles: Modular, Highly Enantioselective Transfer Hydrogenation Catalysts ACS Catalysis 6(10) (2016) 6455 Space group: P 1 21 1 Cell volume: 1995.8 Cell parameters: 10.9646; 16.3287; 11.9006; 90; 110.493; 90; |
| COD ID: 4513940 | |
| CIF file | Formula: - C59 H74 B2 Cl4 F8 Fe N4 P2 - Comments: Bigler, Raphael; Huber, Raffael; Stöckli, Marco; Mezzetti, Antonio Iron(II)/(NH)2P2Macrocycles: Modular, Highly Enantioselective Transfer Hydrogenation Catalysts ACS Catalysis 6(10) (2016) 6455 Space group: P 1 Cell volume: 1459.9 Cell parameters: 10.4939; 10.7859; 13.5065; 101.154; 92.256; 102.353; |
| COD ID: 4513941 | |
| CIF file | Formula: - C65.5 H33.5 Co F10 N6.5 O1.71 - Comments: 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 6(10) (2016) 6429 Space group: P 1 21/c 1 Cell volume: 12323.6 Cell parameters: 17.3254; 30.92; 23.005; 90; 90.359; 90; |
| COD ID: 4513942 | |
| CIF file | Formula: - C22 H32 Au F6 N4 Sb - Comments: 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 6(10) (2016) 6537 Space group: P 1 21/c 1 Cell volume: 1407.06 Cell parameters: 8.4122; 11.7102; 14.7141; 90; 103.893; 90; |
| COD ID: 4513943 | |
| CIF file | Formula: - C55 H51 B2 F20 N O Zr - Comments: 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 6(10) (2016) 6601 Space group: P 1 21/n 1 Cell volume: 10498.3 Cell parameters: 10.6797; 38.6444; 25.5186; 90; 94.5702; 90; |
| COD ID: 4513944 | |
| CIF file | Formula: - C62 H61.5 B2 Cl0.5 F20 N O Zr - Comments: 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 6(10) (2016) 6601 Space group: P -1 Cell volume: 2945.45 Cell parameters: 10.8416; 16.5385; 18.9008; 68.2519; 74.0118; 72.1388; |
| COD ID: 4513945 | |
| CIF file | Formula: - C60 H51 B F20 N2 O Zr - Comments: 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 6(10) (2016) 6601 Space group: P c a 21 Cell volume: 5488.3 Cell parameters: 17.1305; 10.7085; 29.9187; 90; 90; 90; |
| COD ID: 4513946 | |
| CIF file | Formula: - C20 H25 N O2 - Comments: Zhang, Heyi; Lu, Zhan Dual-Stereocontrol Asymmetric Cobalt-Catalyzed Hydroboration of Sterically Hindered Styrenes ACS Catalysis 6(10) (2016) 6596 Space group: P 1 21 1 Cell volume: 894.18 Cell parameters: 9.419; 8.8409; 11.6624; 90; 112.966; 90; |
| COD ID: 4513948 | |
| CIF file | Formula: - C25 H38 B3 Cl2 I N12 Ni2 - Comments: Lu, Zhiyao; Williams, Travis J. Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions ACS Catalysis 6(10) (2016) 6670 Space group: P -1 Cell volume: 1900.8 Cell parameters: 12.3061; 12.6455; 13.1675; 78.8847; 71.0045; 87.4156; |
| COD ID: 4513949 | |
| CIF file | Formula: - C59 H68 Cl2 N8 Ni3 O4 - Comments: Lu, Zhiyao; Williams, Travis J. Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions ACS Catalysis 6(10) (2016) 6670 Space group: P 1 21/c 1 Cell volume: 5846.8 Cell parameters: 22.9867; 8.2956; 32.6131; 90; 109.922; 90; |
| COD ID: 4513950 | |
| CIF file | Formula: - C24 H30 B I N4 - Comments: Lu, Zhiyao; Williams, Travis J. Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions ACS Catalysis 6(10) (2016) 6670 Space group: P 1 21/m 1 Cell volume: 1269.01 Cell parameters: 8.2687; 19.3361; 8.7596; 90; 115.029; 90; |
| COD ID: 4513951 | |
| CIF file | Formula: - C40 H55 Cl N4 Ni O0 - Comments: Pu, Xinghui; Hu, Jiefeng; Zhao, Yue; Shi, Zhuangzhi Nickel-Catalyzed Decarbonylative Borylation and Silylation of Esters ACS Catalysis 6(10) (2016) 6692 Space group: P 1 21 1 Cell volume: 2082.8 Cell parameters: 9.586; 12.006; 18.204; 90; 96.216; 90; |
| COD ID: 4513952 | |
| CIF file | Formula: - C42 H57 Cl3 N4 Ni O - Comments: Pu, Xinghui; Hu, Jiefeng; Zhao, Yue; Shi, Zhuangzhi Nickel-Catalyzed Decarbonylative Borylation and Silylation of Esters ACS Catalysis 6(10) (2016) 6692 Space group: P n a 21 Cell volume: 4138.6 Cell parameters: 12.7494; 28.039; 11.5771; 90; 90; 90; |
| COD ID: 4513953 | |
| CIF file | Formula: - C24 H55 Cl P2 Pd - Comments: Hu, Yue; Shen, Zhiqiang; Huang, Hanmin Palladium-Catalyzed Intramolecular Hydroaminocarbonylation to Lactams: Additive-Free Protocol Initiated by Palladium Hydride ACS Catalysis 6(10) (2016) 6785 Space group: C 1 2/c 1 Cell volume: 5713.4 Cell parameters: 45.941; 8.7162; 14.6019; 90; 102.274; 90; |
| COD ID: 4513954 | |
| CIF file | Formula: - C10 H8 N O2 - Comments: Hu, Yue; Shen, Zhiqiang; Huang, Hanmin Palladium-Catalyzed Intramolecular Hydroaminocarbonylation to Lactams: Additive-Free Protocol Initiated by Palladium Hydride ACS Catalysis 6(10) (2016) 6785 Space group: P 1 21/c 1 Cell volume: 865.6 Cell parameters: 4.5967; 12.2704; 15.393; 90; 94.473; 90; |
| COD ID: 4513955 | |
| CIF file | Formula: - C16 H15 N O - Comments: Hu, Yue; Shen, Zhiqiang; Huang, Hanmin Palladium-Catalyzed Intramolecular Hydroaminocarbonylation to Lactams: Additive-Free Protocol Initiated by Palladium Hydride ACS Catalysis 6(10) (2016) 6785 Space group: P 1 Cell volume: 637.1 Cell parameters: 4.6759; 11.637; 12.148; 101.704; 94.481; 97.981; |
| COD ID: 4513956 | |
| CIF file | Formula: - C25 H24 Br O2 P - Comments: 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 6(10) (2016) 6906 Space group: P 1 21/n 1 Cell volume: 2258 Cell parameters: 14.349; 9.776; 16.959; 90; 108.332; 90; |
| COD ID: 4513960 | |
| CIF file | Formula: - C11 H13 N O3 S - Comments: Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination ACS Catalysis 6(10) (2016) 7183 Space group: P 1 21/c 1 Cell volume: 2187.43 Cell parameters: 9.45565; 18.07717; 13.18336; 90; 103.903; 90; |
| COD ID: 4513961 | |
| CIF file | Formula: - C17 H18 N2 O4 S - Comments: Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination ACS Catalysis 6(10) (2016) 7183 Space group: P 1 21/c 1 Cell volume: 1646.56 Cell parameters: 11.81121; 8.41417; 16.5698; 90; 90.8215; 90; |
| COD ID: 4513962 | |
| CIF file | Formula: - C19 H17 N O4 S - Comments: Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination ACS Catalysis 6(10) (2016) 7183 Space group: P 1 21/c 1 Cell volume: 1623.59 Cell parameters: 10.28582; 9.52978; 16.564; 90; 90.4024; 90; |
| COD ID: 4513963 | |
| CIF file | Formula: - C18 H19 N O4 S - Comments: Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination ACS Catalysis 6(10) (2016) 7183 Space group: P 21 21 21 Cell volume: 3313.81 Cell parameters: 5.45149; 15.7094; 38.6948; 90; 90; 90; |
| COD ID: 4513970 | |
| CIF file | Formula: - C84 H84 Cd2 N4 O16 V2 - Comments: 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 6(11) (2016) 7590 Space group: P 2 2 21 Cell volume: 16041.8 Cell parameters: 34.388; 34.853; 13.3846; 90; 90; 90; |
| COD ID: 4513971 | |
| CIF file | Formula: - C84 H84 Cd2 Cu N4 O16 V - Comments: 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 6(11) (2016) 7590 Space group: P 2 2 21 Cell volume: 16114.3 Cell parameters: 33.9506; 35.3214; 13.4377; 90; 90; 90; |
| COD ID: 4513972 | |
| CIF file | Formula: - C22 H16 Cl N - Comments: 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 6(11) (2016) 7652 Space group: P 21 21 21 Cell volume: 1640.2 Cell parameters: 6.0503; 14.698; 18.444; 90; 90; 90; |
| COD ID: 4513973 | |
| CIF file | Formula: - C23 H19 N O - Comments: 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 6(11) (2016) 7652 Space group: P 21 21 21 Cell volume: 1681.53 Cell parameters: 5.7336; 16.8181; 17.4381; 90; 90; 90; |
| COD ID: 4513974 | |
| CIF file | Formula: - C45 H37 Cl O P2 Pd - Comments: 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 6(11) (2016) 7784 Space group: P 1 21/n 1 Cell volume: 4035.7 Cell parameters: 11.0213; 23.615; 16.094; 90; 105.537; 90; |
| COD ID: 4513975 | |
| CIF file | Formula: - C11 H13 Br O2 S - Comments: 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 6(11) (2016) 7778 Space group: P 1 21 1 Cell volume: 1238.29 Cell parameters: 9.6991; 9.587; 13.7942; 90; 105.113; 90; |
| COD ID: 4513976 | |
| CIF file | Formula: - C20 H21 Br O2 - Comments: 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 6(11) (2016) 7778 Space group: P 1 21 1 Cell volume: 880.19 Cell parameters: 5.4678; 8.6283; 18.6625; 90; 91.41; 90; |
| COD ID: 4513977 | |
| CIF file | Formula: - C16 H15 Br O2 - Comments: 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 6(11) (2016) 7778 Space group: P 1 21 1 Cell volume: 746.37 Cell parameters: 8.8973; 6.9477; 12.2822; 90; 100.56; 90; |
| COD ID: 4513979 | |
| CIF file | Formula: - C51 H71 Cu Fe N2 O3 Si2 - Comments: 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 6(11) (2016) 7855 Space group: P -1 Cell volume: 2532.29 Cell parameters: 10.7287; 11.7933; 20.5611; 100.143; 97.14; 93.382; |
| COD ID: 4513980 | |
| CIF file | Formula: - C52 H63 Cu D6 Fe N2 O3 - Comments: 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 6(11) (2016) 7855 Space group: P 1 21/n 1 Cell volume: 4890.8 Cell parameters: 11.9549; 10.1772; 40.3744; 90; 95.356; 90; |
| COD ID: 4513981 | |
| CIF file | Formula: - C34 H51 Fe N2 P - Comments: 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 6(11) (2016) 7892 Space group: C 1 2/c 1 Cell volume: 6515.47 Cell parameters: 20.4853; 14.08083; 22.6949; 90; 95.5664; 90; |
| COD ID: 4513983 | |
| CIF file | Formula: - C60.38 H57 Cl1.75 N4 O9 - Comments: Ma, Chao; Huang, Yuan; Zhao, Yu Stereoselective 1,6-Conjugate Addition/Annulation ofpara-Quinone Methides with Vinyl Epoxides/Cyclopropanes ACS Catalysis 6(10) (2016) 6408 Space group: C 1 2 1 Cell volume: 10936.1 Cell parameters: 33.03; 14.5141; 23.743; 90; 106.097; 90; |
| COD ID: 4513984 | |
| CIF file | Formula: - C24 H24 Cl N3 O2 - Comments: 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 6(10) (2016) 6473 Space group: P 21 21 21 Cell volume: 2180.95 Cell parameters: 10.405; 14.2652; 14.6935; 90; 90; 90; |
| COD ID: 4513985 | |
| CIF file | Formula: - C16 H24 I2 N8 Ni - Comments: Lu, Zhiyao; Williams, Travis J. Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions ACS Catalysis 6(10) (2016) 6670 Space group: P -1 Cell volume: 552.02 Cell parameters: 8.3462; 8.4556; 8.796; 113.763; 101.75; 91.594; |
| COD ID: 4513986 | |
| CIF file | Formula: - C16 H24 B2 N8 Ni - Comments: Lu, Zhiyao; Williams, Travis J. Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions ACS Catalysis 6(10) (2016) 6670 Space group: P 1 21/n 1 Cell volume: 941.54 Cell parameters: 6.8569; 16.0355; 8.668; 90; 98.926; 90; |
| COD ID: 4516694 | |
| CIF file | Formula: - C24 H25 N3 O2 - Comments: 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 6(8) (2016) 4946 Space group: P 21 21 21 Cell volume: 2066.35 Cell parameters: 5.1839; 17.316; 23.0197; 90; 90; 90; |
| COD ID: 4516695 | |
| CIF file | Formula: - C62 H81 O5 Si Y - Comments: 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 6(8) (2016) 4907 Space group: P -1 Cell volume: 2850.61 Cell parameters: 12.0346; 14.3451; 16.9307; 101.182; 90.368; 96; |
| COD ID: 4516696 | |
| CIF file | Formula: - C76 H87 Co N6 O2 Si2 - Comments: 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 6(6) (2016) 3589 Space group: P 1 21 1 Cell volume: 3308.67 Cell parameters: 12.1686; 15.7163; 17.6104; 90; 100.762; 90; |
| COD ID: 4516697 | |
| CIF file | Formula: - C168 H156 Cl4 N20 P4 Ru4 - Comments: 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 6(8) (2016) 4799 Space group: P -4 Cell volume: 3574.5 Cell parameters: 19.0698; 19.0698; 9.8294; 90; 90; 90; |
| COD ID: 4516698 | |
| CIF file | Formula: - C184 H164 N24 P4 Ru4 - Comments: 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 6(8) (2016) 4799 Space group: P 1 21/n 1 Cell volume: 3781.2 Cell parameters: 12.9692; 16.8857; 17.268; 90; 90.769; 90; |
| COD ID: 4516699 | |
| CIF file | Formula: - C23 H21 Cl N O2 - Comments: Zhang, Ming; Sun, Wangsheng; Zhu, Gongming; Bao, Guangjun; Zhang, Bangzhi; Hong, Liang; Li, Min; Wang, Rui Enantioselective Dearomative Arylation of Isoquinolines ACS Catalysis 6(8) (2016) 5290 Space group: P 21 21 21 Cell volume: 1992.8 Cell parameters: 9.5413; 12.5331; 16.6646; 90; 90; 90; |
| COD ID: 4516700 | |
| CIF file | Formula: - C38 H27 N O - Comments: 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 6(10) (2016) 6372 Space group: P -1 Cell volume: 2747.7 Cell parameters: 11.23; 12.753; 20.255; 85.686; 80.147; 74.114; |
| COD ID: 4516701 | |
| CIF file | Formula: - C26 H35 O5 P - Comments: 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 6(11) (2016) 7554 Space group: P 1 21/n 1 Cell volume: 2475.83 Cell parameters: 9.4338; 11.4458; 23.1231; 90; 97.4269; 90; |
| COD ID: 4516702 | |
| CIF file | Formula: - C7 H5 O4 P - Comments: 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 6(11) (2016) 7554 Space group: P 1 21/n 1 Cell volume: 744.57 Cell parameters: 4.5729; 14.1363; 11.7191; 90; 100.631; 90; |
| COD ID: 4516703 | |
| CIF file | Formula: - C48 H53 O12 P2 Rh - Comments: 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 6(11) (2016) 7554 Space group: P -1 Cell volume: 2367.22 Cell parameters: 10.8599; 15.1287; 15.5406; 102.742; 101.78; 100.56; |
| COD ID: 4516704 | |
| CIF file | Formula: - C18 H19 O5 P - Comments: 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 6(11) (2016) 7554 Space group: P 1 21/c 1 Cell volume: 1729.2 Cell parameters: 7.9973; 11.7658; 18.4161; 90; 93.7246; 90; |
| COD ID: 4516705 | |
| CIF file | Formula: - C24 H27 N O4 S - Comments: Teske, Johannes; Plietker, Bernd A Redox-Neutral Fe-Catalyzed Cycloisomerization of Enyne Acetates ACS Catalysis 6(10) (2016) 7148 Space group: P -1 Cell volume: 1100.08 Cell parameters: 8.6854; 11.1584; 12.3533; 110.734; 96.486; 95.657; |
| COD ID: 4516706 | |
| CIF file | Formula: - C39 H32 B Cl2 F4 Fe N O3 P2 - Comments: Teske, Johannes; Plietker, Bernd A Redox-Neutral Fe-Catalyzed Cycloisomerization of Enyne Acetates ACS Catalysis 6(10) (2016) 7148 Space group: P 1 21/n 1 Cell volume: 3764.5 Cell parameters: 16.7984; 13.6152; 16.9579; 90; 103.928; 90; |
| COD ID: 4516707 | |
| CIF file | Formula: - C40 H34 B Cl3 F4 Fe N2 O2 P2 - Comments: Teske, Johannes; Plietker, Bernd A Redox-Neutral Fe-Catalyzed Cycloisomerization of Enyne Acetates ACS Catalysis 6(10) (2016) 7148 Space group: P -1 Cell volume: 2054.1 Cell parameters: 12.2695; 12.9467; 14.1404; 78.636; 69.027; 83.561; |
| COD ID: 4516708 | |
| CIF file | Formula: - C18 H21 F3 N4 Ni O3 S - Comments: 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 6(12) (2016) 8192 Space group: P 1 21/n 1 Cell volume: 2061.04 Cell parameters: 6.9941; 17.4234; 17.1188; 90; 98.8919; 90; |
| COD ID: 4516709 | |
| CIF file | Formula: - C15 H16 I N3 Ni O - Comments: 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 6(12) (2016) 8192 Space group: P 1 21/c 1 Cell volume: 1597.81 Cell parameters: 13.4405; 10.5724; 11.268; 90; 93.709; 90; |
| COD ID: 4516710 | |
| CIF file | Formula: - C18 H21 F3 N4 Ni O3 S - Comments: 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 6(12) (2016) 8192 Space group: C 1 2/c 1 Cell volume: 4067.62 Cell parameters: 14.416; 11.0236; 25.901; 90; 98.801; 90; |
| COD ID: 4516711 | |
| CIF file | Formula: - C40 H46 Fe N4 O3 - Comments: 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 6(10) (2016) 7217 Space group: P b c n Cell volume: 7039.4 Cell parameters: 24.0256; 13.1262; 22.3213; 90; 90; 90; |
| COD ID: 4516712 | |
| CIF file | Formula: - C150 H162 F12 Fe4 N12 O6 P2 - Comments: 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 6(10) (2016) 7217 Space group: P 21 21 2 Cell volume: 6972.2 Cell parameters: 22.7811; 22.9453; 13.3383; 90; 90; 90; |
| COD ID: 4516713 | |
| CIF file | Formula: - C36 H36 Fe N6 O6 - Comments: 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 6(10) (2016) 7217 Space group: P 1 21/n 1 Cell volume: 3278.02 Cell parameters: 8.0949; 23.7481; 17.1961; 90; 97.427; 90; |
| COD ID: 4516714 | |
| CIF file | Formula: - C42 H50 Fe N4 O5 - Comments: 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 6(10) (2016) 7217 Space group: P 1 21 1 Cell volume: 3805.28 Cell parameters: 15.49431; 16.23501; 15.84297; 90; 107.287; 90; |
| COD ID: 4516715 | |
| CIF file | Formula: - C16 H15 N3 O4 - Comments: 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 6(10) (2016) 7197 Space group: P 1 21/c 1 Cell volume: 1537.7 Cell parameters: 10.2029; 19.4064; 7.7687; 90; 91.548; 90; |
| COD ID: 4516716 | |
| CIF file | Formula: - C33 H22 Cl3 N4 Ni O2 - Comments: He, Zhiqi; Huang, Yong Diverting C‒H Annulation Pathways: Nickel-Catalyzed Dehydrogenative Homologation of Aromatic Amides ACS Catalysis 6(11) (2016) 7814 Space group: P -1 Cell volume: 1457.21 Cell parameters: 9.0058; 9.3091; 17.9195; 79.797; 80.388; 89.868; |
| COD ID: 4516717 | |
| CIF file | Formula: - C45 H29 F4 N2 O2 - Comments: He, Zhiqi; Huang, Yong Diverting C‒H Annulation Pathways: Nickel-Catalyzed Dehydrogenative Homologation of Aromatic Amides ACS Catalysis 6(11) (2016) 7814 Space group: C 1 2 1 Cell volume: 3564.9 Cell parameters: 29.3161; 8.847; 16.2475; 90; 122.222; 90; |
| COD ID: 4516718 | |
| CIF file | Formula: - C19 H22 O5 S - Comments: 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 6(12) (2016) 8004-8008 Space group: P 21 21 21 Cell volume: 1766.73 Cell parameters: 5.6343; 17.0439; 18.3976; 90; 90; 90; |
| COD ID: 4516719 | |
| CIF file | Formula: - C22 H40 Cl2 N2 Ni O5 - Comments: 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 6(12) (2016) 8004-8008 Space group: C 1 2/c 1 Cell volume: 2631.7 Cell parameters: 13.0843; 30.4; 6.6223; 90; 92.47; 90; |
| COD ID: 4516720 | |
| CIF file | Formula: - C26 H23 Cl Cu N2 O3 - Comments: Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B. Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air ACS Catalysis 6(12) (2016) 8332 Space group: P b c a Cell volume: 4574.7 Cell parameters: 13.278; 17.113; 20.133; 90; 90; 90; |
| COD ID: 4516721 | |
| CIF file | Formula: - C22 H14 Br Cu F3 N2 O2 - Comments: Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B. Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air ACS Catalysis 6(12) (2016) 8332 Space group: P 1 21/c 1 Cell volume: 2012 Cell parameters: 12.615; 13.308; 13.396; 90; 116.537; 90; |
| COD ID: 4516722 | |
| CIF file | Formula: - C29 H22 Cl Cu N3 O2 - Comments: Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B. Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air ACS Catalysis 6(12) (2016) 8332 Space group: P 1 21/n 1 Cell volume: 2362.09 Cell parameters: 15.5811; 8.8795; 17.1799; 90; 96.394; 90; |
| COD ID: 4516723 | |
| CIF file | Formula: - C22 H17 Cu N3 O5 - Comments: Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B. Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air ACS Catalysis 6(12) (2016) 8332 Space group: P 1 21/n 1 Cell volume: 1917.9 Cell parameters: 7.3869; 17.69; 14.677; 90; 90.094; 90; |
| COD ID: 4516724 | |
| CIF file | Formula: - C31 H38 Cu N2 O4 - Comments: Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B. Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air ACS Catalysis 6(12) (2016) 8332 Space group: P -1 Cell volume: 2804 Cell parameters: 9.019; 14.953; 20.897; 86.86; 85.15; 89.96; |
| COD ID: 4516725 | |
| CIF file | Formula: - C138 H106 B6 O27 - Comments: Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B. Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air ACS Catalysis 6(12) (2016) 8332 Space group: P -1 Cell volume: 2845.1 Cell parameters: 9.5117; 16.2069; 19.2829; 95.824; 98.182; 102.531; |
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