Crystallography Open Database
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Searching journal of publication like 'ACS catalysis'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 4512489 | CIF | C20 H16 Br Fe N5 | C 1 2/c 1 | 16.847; 13.0275; 16.3223 90; 96.25; 90 | 3561 | Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K. Regulation of Iron-Catalyzed Olefin Hydroboration by Ligand Modifications at a Remote Site ACS Catalysis, 2015, 5, 411 |
| 4512490 | CIF | C25 H24 F3 Fe N5 O4 S | P 1 | 8.4756; 8.8071; 18.6806 99.732; 90.796; 112.598 | 1264.06 | Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K. Regulation of Iron-Catalyzed Olefin Hydroboration by Ligand Modifications at a Remote Site ACS Catalysis, 2015, 5, 411 |
| 4512491 | CIF | C23 H19 F6 Fe N5 O6 S2 | P -1 | 10.7036; 12.1278; 12.2733 66.351; 73.133; 69.747 | 1347.8 | Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K. Regulation of Iron-Catalyzed Olefin Hydroboration by Ligand Modifications at a Remote Site ACS Catalysis, 2015, 5, 411 |
| 4512510 | CIF | C40 H36 Cl2 F3 N3 O7 P Re S | P 1 21/n 1 | 12.089; 9.0476; 36.982 90; 91.534; 90 | 4043.5 | Liu, Jinyong; Choe, Jong Kwon; Wang, Yin; Shapley, John R.; Werth, Charles J.; Strathmann, Timothy J. Bioinspired Complex-Nanoparticle Hybrid Catalyst System for Aqueous Perchlorate Reduction: Rhenium Speciation and Its Influence on Catalyst Activity ACS Catalysis, 2015, 5, 511 |
| 4512511 | CIF | C55 H46 F3 N2 O7 P2 Re S | P 21 21 21 | 11.209; 11.6194; 37.5809 90; 90; 90 | 4894.6 | Liu, Jinyong; Choe, Jong Kwon; Wang, Yin; Shapley, John R.; Werth, Charles J.; Strathmann, Timothy J. Bioinspired Complex-Nanoparticle Hybrid Catalyst System for Aqueous Perchlorate Reduction: Rhenium Speciation and Its Influence on Catalyst Activity ACS Catalysis, 2015, 5, 511 |
| 4512512 | CIF | C37 H56 Co N3 Si | P 1 21/n 1 | 17.8016; 12.0498; 18.7953 90; 117.63; 90 | 3571.93 | Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J. High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands ACS Catalysis, 2015, 5, 622 |
| 4512513 | CIF | C31 H45 Co N2 | C 1 2/c 1 | 16.1764; 9.2233; 18.8751 90; 92.623; 90 | 2813.2 | Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J. High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands ACS Catalysis, 2015, 5, 622 |
| 4512514 | CIF | C38 H57 Co N2 | C 1 2/c 1 | 38.978; 10.046; 18.259 90; 104.3; 90 | 6928 | Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J. High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands ACS Catalysis, 2015, 5, 622 |
| 4512515 | CIF | C19 H22 Co N3 Si | P 1 21/n 1 | 11.086; 19.096; 16.774 90; 94.52; 90 | 3540 | Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J. High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands ACS Catalysis, 2015, 5, 622 |
| 4512516 | CIF | C14 H21 Cl Co N2 Si | R -3 :H | 31.103; 31.103; 9.4729 90; 90; 120 | 7936.3 | Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J. High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands ACS Catalysis, 2015, 5, 622 |
| 4512529 | CIF | C45 H40 F4 N3 O P Ru | P 21 21 21 | 13.869; 16.834; 16.985 90; 90; 90 | 3965.5 | McKay, David; Riddlestone, Ian M.; Macgregor, Stuart A.; Mahon, Mary F.; Whittlesey, Michael K. Mechanistic Study of Ru-NHC-Catalyzed Hydrodefluorination of Fluoropyridines: The Influence of the NHC on the Regioselectivity of C‒F Activation and Chemoselectivity of C‒F versus C‒H Bond Cleavage ACS Catalysis, 2015, 5, 776 |
| 4512584 | CIF | C12 H20 Cl N3 Ni | P c a 21 | 16.1973; 9.2551; 18.251 90; 90; 90 | 2736 | Pérez García, Pablo M.; Ren, Peng; Scopelliti, Rosario; Hu, Xile Nickel-Catalyzed Direct Alkylation of Terminal Alkynes at Room Temperature: A Hemilabile Pincer Ligand Enhances Catalytic Activity ACS Catalysis, 2015, 5, 1164 |
| 4512585 | CIF | C20 H25 N3 Ni | P 1 21/n 1 | 9.7694; 14.6639; 12.8939 90; 100.806; 90 | 1814.4 | Pérez García, Pablo M.; Ren, Peng; Scopelliti, Rosario; Hu, Xile Nickel-Catalyzed Direct Alkylation of Terminal Alkynes at Room Temperature: A Hemilabile Pincer Ligand Enhances Catalytic Activity ACS Catalysis, 2015, 5, 1164 |
| 4512586 | CIF | C144 H154 B2 Fe3 O13 P8 | P -1 | 14.7034; 15.3502; 30.5317 81.607; 77.192; 79.041 | 6558.1 | Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation ACS Catalysis, 2015, 5, 1254 |
| 4512587 | CIF | C42 H44 Fe P4 | P -1 | 11.3961; 11.8042; 14.9611 88.014; 81.462; 63.904 | 1786.33 | Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation ACS Catalysis, 2015, 5, 1254 |
| 4512588 | CIF | C49 H58 B F4 Fe N P4 | P -1 | 11.6311; 12.2422; 18.0737 104.224; 98.681; 106.392 | 2325.12 | Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation ACS Catalysis, 2015, 5, 1254 |
| 4512589 | CIF | C66 H63 B Fe P4 | P -1 | 12.4918; 13.5351; 19.2058 92.091; 105.612; 94.273 | 3113.4 | Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation ACS Catalysis, 2015, 5, 1254 |
| 4512590 | CIF | C103 H117 B4 F16 Fe2 N7 P8 | C 1 2/c 1 | 33.6116; 14.8734; 20.7957 90; 105.833; 90 | 10001.7 | Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation ACS Catalysis, 2015, 5, 1254 |
| 4512815 | CIF | C58 H58 B2 F8 N2 Ni P4 | P 1 21/n 1 | 9.2602; 20.7179; 14.2353 90; 97.2; 90 | 2709.5 | Brown, Houston J. S.; Wiese, Stefan; Roberts, John A. S.; Bullock, R. Morris; Helm, Monte L. Electrocatalytic Hydrogen Production by [Ni(7PPh2NH)2]2+: Removing the Distinction Between Endo- and Exo-Protonation Sites ACS Catalysis, 2015, 5, 2116 |
| 4512816 | CIF | C38 H44 B2 Cl4 F14 N2 Ni O4 P4 | P -1 | 10.3197; 13.2465; 19.7249 94.91; 101.046; 109.554 | 2460.92 | Brown, Houston J. S.; Wiese, Stefan; Roberts, John A. S.; Bullock, R. Morris; Helm, Monte L. Electrocatalytic Hydrogen Production by [Ni(7PPh2NH)2]2+: Removing the Distinction Between Endo- and Exo-Protonation Sites ACS Catalysis, 2015, 5, 2116 |
| 4512822 | CIF | C31 H32 B2 N2 O2 | P -1 | 9.5673; 12.0514; 12.4802 85.896; 77.575; 73.572 | 1347.8 | Guo, Xi; Nelson, Amanda K.; Slebodnick, Carla; Santos, Webster L. Regio- and Chemoselective Diboration of Allenes with Unsymmetrical Diboron: Formation of Vinyl and Allyl Boronic Acid Derivatives ACS Catalysis, 2015, 2172 |
| 4512852 | CIF | C58 H81 F12 Fe2 N9 O18 S4 | P 21 21 21 | 16.9742; 17.1155; 50.282 90; 90; 90 | 14608 | Lyakin, Oleg Y.; Zima, Alexandra M.; Samsonenko, Denis G.; Bryliakov, Konstantin P.; Talsi, Evgenii P. EPR Spectroscopic Detection of the Elusive FeV═O Intermediates in Selective Catalytic Oxofunctionalizations of Hydrocarbons Mediated by Biomimetic Ferric Complexes ACS Catalysis, 2015, 5, 2702 |
| 4512854 | CIF | C31 H27 F3 N2 O4 S | P -1 | 9.4555; 12.671; 13.141 89.372; 83.024; 70.301 | 1470.6 | Ghorai, Debasish; Choudhury, Joyanta Rhodium(III)‒N-Heterocyclic Carbene-Driven Cascade C‒H Activation Catalysis ACS Catalysis, 2015, 5, 2692 |
| 4512855 | CIF | C45 H31 F3 N2 O3 S | P -1 | 10.6172; 12.7911; 14.6372 102.793; 106.868; 96.17 | 1823.39 | Ghorai, Debasish; Choudhury, Joyanta Rhodium(III)‒N-Heterocyclic Carbene-Driven Cascade C‒H Activation Catalysis ACS Catalysis, 2015, 5, 2692 |
| 4512856 | CIF | C12 H10 N2 Ni S2 | P 1 21/c 1 | 12.301; 5.883; 8.098 90; 95.547; 90 | 583.3 | Das, Amit; Han, Zhiji; Brennessel, William W.; Holland, Patrick L.; Eisenberg, Richard Nickel Complexes for Robust Light-Driven and Electrocatalytic Hydrogen Production from Water ACS Catalysis, 2015, 5, 1397 |
| 4512857 | CIF | C20 H36 N2 Ni O4 S6 | P -1 | 8.3237; 11.0567; 15.928 92.197; 99.883; 94.145 | 1438.4 | Das, Amit; Han, Zhiji; Brennessel, William W.; Holland, Patrick L.; Eisenberg, Richard Nickel Complexes for Robust Light-Driven and Electrocatalytic Hydrogen Production from Water ACS Catalysis, 2015, 5, 1397 |
| 4512930 | CIF | C10 H17 N O3 | P 21 21 21 | 9.8502; 13.6853; 16.4912 90; 90; 90 | 2223.1 | Bae, Han Yong; Song, Choong Eui Unprecedented Hydrophobic Amplification in Noncovalent Organocatalysis “on Water”: Hydrophobic Chiral Squaramide Catalyzed Michael Addition of Malonates to Nitroalkenes ACS Catalysis, 2015, 5, 3613 |
| 4512945 | CIF | C36 H52 Br Co N2 O2 | P 1 | 10.795; 12.6416; 14.6957 65.979; 89.9734; 71.994 | 1723.83 | North, Michael; Quek, Sophie C. Z.; Pridmore, Natalie E.; Whitwood, Adrian C.; Wu, Xiao Aluminum(salen) Complexes as Catalysts for the Kinetic Resolution of Terminal Epoxides via CO2Coupling ACS Catalysis, 2015, 5, 3398 |
| 4512946 | CIF | C16 H12 F3 N O2 | P -1 | 8.167; 8.306; 10.825 91.64; 99.308; 92.741 | 723.3 | Albaladejo, María José; Alonso, Francisco; González-Soria, María José Synthetic and Mechanistic Studies on the Solvent-Dependent Copper-Catalyzed Formation of Indolizines and Chalcones ACS Catalysis, 2015, 5, 3446 |
| 4512947 | CIF | Bi4 Na20.72 O213.36 W36 Zn8 | P 1 21/n 1 | 13.234; 17.661; 20.966 90; 93.12; 90 | 4893 | Amanchi, Srinivasa Rao; Khenkin, Alexander M.; Diskin-Posner, Yael; Neumann, Ronny Bismuth-Substituted “Sandwich” Type Polyoxometalate Catalyst for Activation of Peroxide: Umpolung of the Peroxo Intermediate and Change of Chemoselectivity ACS Catalysis, 2015, 5, 3336 |
| 4512948 | CIF | Bi2 Na4 O98.55 W18 Zn6 | P n n m | 16.187; 19.43; 14.641 90; 90; 90 | 4604.8 | Amanchi, Srinivasa Rao; Khenkin, Alexander M.; Diskin-Posner, Yael; Neumann, Ronny Bismuth-Substituted “Sandwich” Type Polyoxometalate Catalyst for Activation of Peroxide: Umpolung of the Peroxo Intermediate and Change of Chemoselectivity ACS Catalysis, 2015, 5, 3336 |
| 4513027 | CIF | C23 H24 Br N O | P 21 21 21 | 7.2425; 15.4541; 17.01 90; 90; 90 | 1903.9 | Hu, Haoxiang; Meng, Chunna; Dong, Yun; Li, Xin; Ye, Jinxing Catalytic Asymmetric Formal Aza-Diels‒Alder Reactions of α,β-Unsaturated Ketones and 3H-Indoles ACS Catalysis, 2015, 5, 3700 |
| 4513028 | CIF | C15 H B Br3 F18 N6 Tl | P -1 | 9.4814; 10.765; 13.9827 111.406; 92.343; 99.301 | 1303.49 | Gava, Riccardo; Olmos, Andrea; Noverges, Bárbara; Varea, Teresa; Álvarez, Eleuterio; Belderrain, Tomás R.; Caballero, Ana; Asensio, Gregorio; Pérez, Pedro J. Discovering Copper for Methane C‒H Bond Functionalization ACS Catalysis, 2015, 5, 3726 |
| 4513029 | CIF | C17 H4 B Br3 Cu F18 N7 | C 1 2/c 1 | 21.9569; 16.6067; 17.0174 90; 105.863; 90 | 5968.8 | Gava, Riccardo; Olmos, Andrea; Noverges, Bárbara; Varea, Teresa; Álvarez, Eleuterio; Belderrain, Tomás R.; Caballero, Ana; Asensio, Gregorio; Pérez, Pedro J. Discovering Copper for Methane C‒H Bond Functionalization ACS Catalysis, 2015, 5, 3726 |
| 4513030 | CIF | C19 H9 Ag B Br3 F18 N6 O | P -1 | 9.5396; 12.6988; 12.9452 100.867; 94.371; 98.592 | 1514 | Gava, Riccardo; Olmos, Andrea; Noverges, Bárbara; Varea, Teresa; Álvarez, Eleuterio; Belderrain, Tomás R.; Caballero, Ana; Asensio, Gregorio; Pérez, Pedro J. Discovering Copper for Methane C‒H Bond Functionalization ACS Catalysis, 2015, 5, 3726 |
| 4513043 | CIF | C24 H20 N4 O5 Ru S | P -1 | 8.7507; 10.3497; 14.1618 79.212; 73.228; 77.234 | 1187.17 | Wang, Ying; Duan, Lele; Wang, Lei; Chen, Hong; Sun, Junliang; Sun, Licheng; Ahlquist, Mårten S. G. Alkene Epoxidation Catalysts [Ru(pdc)(tpy)] and [Ru(pdc)(pybox)] Revisited: Revealing a Unique RuIV═O Structure from a Dimethyl Sulfoxide Coordinating Complex ACS Catalysis, 2015, 5, 3966 |
| 4513044 | CIF | C45 H57 Cl F N2 O3 P Ru | P -1 | 9.25; 10.543; 21.668 84.919; 89.766; 81.66 | 2082.5 | Guidone, Stefano; Songis, Olivier; Falivene, Laura; Nahra, Fady; Slawin, Alexandra M. Z.; Jacobsen, Heiko; Cavallo, Luigi; Cazin, Catherine S. J. Ruthenium Olefin Metathesis Catalysts Containing Fluoride ACS Catalysis, 2015, 5, 3932 |
| 4513045 | CIF | C45 H57 F2 N2 O3 P Ru | P -1 | 9.123; 10.569; 21.751 94.901; 90.209; 99.166 | 2062.6 | Guidone, Stefano; Songis, Olivier; Falivene, Laura; Nahra, Fady; Slawin, Alexandra M. Z.; Jacobsen, Heiko; Cavallo, Luigi; Cazin, Catherine S. J. Ruthenium Olefin Metathesis Catalysts Containing Fluoride ACS Catalysis, 2015, 5, 3932 |
| 4513186 | CIF | C49 H47 Cl F6 N2 P2 Ru | P -1 | 11.185; 12.2337; 15.712 87.763; 85.343; 75.988 | 2078.7 | Xie, Xiaoke; Huynh, Han Vinh Tunable Dehydrogenative Amidation versus Amination Using a Single Ruthenium-NHC Catalyst ACS Catalysis, 2015, 5, 4143 |
| 4513187 | CIF | C45 H47 Cl F6 N2 P2 Ru | C 1 c 1 | 18.524; 15.304; 14.862 90; 98.269; 90 | 4169.4 | Xie, Xiaoke; Huynh, Han Vinh Tunable Dehydrogenative Amidation versus Amination Using a Single Ruthenium-NHC Catalyst ACS Catalysis, 2015, 5, 4143 |
| 4513215 | CIF | C32 H28 B Fe P | P 21 21 21 | 7.8373; 11.1807; 28.7574 90; 90; 90 | 2519.91 | Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases ACS Catalysis, 2015, 5, 4300 |
| 4513216 | CIF | C20 H25 N | P 1 21 1 | 8.4925; 18.0565; 21.7726 90; 92.034; 90 | 3336.61 | Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases ACS Catalysis, 2015, 5, 4300 |
| 4513217 | CIF | C18 H21 N | P -1 | 7.6079; 9.9255; 10.7036 113.746; 100.964; 95.416 | 713.05 | Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases ACS Catalysis, 2015, 5, 4300 |
| 4513218 | CIF | C25 H29 Fe N O | P 21 21 21 | 10.843; 12.6988; 15.1797 90; 90; 90 | 2090.14 | Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases ACS Catalysis, 2015, 5, 4300 |
| 4513219 | CIF | C43 H38 N O3.5 P Pd S | P 41 21 2 | 14.5165; 14.5165; 37.1387 90; 90; 90 | 7826.2 | Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases ACS Catalysis, 2015, 5, 4300 |
| 4513383 | CIF | C72 H78 N4 O11 Ti2 | P 43 21 2 | 12.3687; 12.3687; 44.436 90; 90; 90 | 6798 | Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P. Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes ACS Catalysis, 2015, 5, 4673 |
| 4513384 | CIF | C76 H78 N4 O11 Ti2 | P 31 2 1 | 19.0457; 19.0457; 41.0671 90; 90; 120 | 12900.9 | Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P. Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes ACS Catalysis, 2015, 5, 4673 |
| 4513385 | CIF | C65 H61 Cl3 N4 O6 Ti2 | P 1 21 1 | 11.5315; 19.176; 13.4627 90; 98.481; 90 | 2944.4 | Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P. Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes ACS Catalysis, 2015, 5, 4673 |
| 4513386 | CIF | C68 H66 Br4 N4 O7 Ti2 | P 43 21 2 | 12.2324; 12.2324; 45.9762 90; 90; 90 | 6879.5 | Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P. Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes ACS Catalysis, 2015, 5, 4673 |
| 4513387 | CIF | C64 H56 Br4 N4 O6 Ti2 | P 1 | 13.8302; 15.4438; 16.7517 108.353; 90.647; 116.089 | 3002.56 | Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P. Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes ACS Catalysis, 2015, 5, 4673 |
| 4513439 | CIF | C54 H47 N4 O7 | P 21 21 21 | 12.3766; 16.424; 28.578 90; 90; 90 | 5809.1 | Alcaide, Benito; Almendros, Pedro; Fernández, Israel; Martín-Montero, Raúl; Martínez-Peña, Francisco; Ruiz, M. Pilar; Torres, M. Rosario Gold-Catalyzed Reactivity Reversal of Indolizidinone-Tethered β-Amino Allenes Controlled by the Stereochemistry ACS Catalysis, 2015, 5, 4842 |
| 4513440 | CIF | C22 H22 N2 O3 | P 1 21 1 | 10.202; 7.487; 11.933 90; 100.922; 90 | 895 | Alcaide, Benito; Almendros, Pedro; Fernández, Israel; Martín-Montero, Raúl; Martínez-Peña, Francisco; Ruiz, M. Pilar; Torres, M. Rosario Gold-Catalyzed Reactivity Reversal of Indolizidinone-Tethered β-Amino Allenes Controlled by the Stereochemistry ACS Catalysis, 2015, 5, 4842 |
| 4513441 | CIF | C22 H16 F3 N O3 S | C 1 2/c 1 | 40.887; 9.2404; 27.6197 90; 131.709; 90 | 7790.1 | Luo, Ching-Zong; Gandeepan, Parthasarathy; Wu, Yun-Ching; Tsai, Chia-Hung; Cheng, Chien-Hong Cooperative C(sp3)‒H and C(sp2)‒H Activation of 2-Ethylpyridines by Copper and Rhodium: A Route toward Quinolizinium Salts ACS Catalysis, 2015, 5, 4837 |
| 4513442 | CIF | C21 H16 B F4 N | P 21 21 21 | 6.1068; 15.2343; 18.4646 90; 90; 90 | 1717.81 | Luo, Ching-Zong; Gandeepan, Parthasarathy; Wu, Yun-Ching; Tsai, Chia-Hung; Cheng, Chien-Hong Cooperative C(sp3)‒H and C(sp2)‒H Activation of 2-Ethylpyridines by Copper and Rhodium: A Route toward Quinolizinium Salts ACS Catalysis, 2015, 5, 4837 |
| 4513443 | CIF | C21 H16 F6 N Sb | C 1 2/c 1 | 13.0833; 9.1095; 33.015 90; 91.371; 90 | 3933.7 | Luo, Ching-Zong; Gandeepan, Parthasarathy; Wu, Yun-Ching; Tsai, Chia-Hung; Cheng, Chien-Hong Cooperative C(sp3)‒H and C(sp2)‒H Activation of 2-Ethylpyridines by Copper and Rhodium: A Route toward Quinolizinium Salts ACS Catalysis, 2015, 5, 4837 |
| 4513454 | CIF | C15 H13 Br N2 | P 41 | 15.9607; 15.9607; 5.4313 90; 90; 90 | 1383.59 | Zhang, De-Yang; Shao, Long; Xu, Jie; Hu, Xiang-Ping Copper-Catalyzed Asymmetric Formal [3 + 2] Cycloaddition of Propargylic Acetates with Hydrazines: Enantioselective Synthesis of Optically Active 2-Pyrazolines ACS Catalysis, 2015, 5, 5026 |
| 4513487 | CIF | C38 H46 Au N3 O2 | P 1 21/n 1 | 9.1636; 36.3601; 21.4472 90; 97.684; 90 | 7081.8 | Hase, Shun; Kayaki, Yoshihito; Ikariya, Takao Mechanistic Aspects of the Carboxylative Cyclization of Propargylamines and Carbon Dioxide Catalyzed by Gold(I) Complexes Bearing anN-Heterocyclic Carbene Ligand ACS Catalysis, 2015, 5, 5135 |
| 4513497 | CIF | C39 H14 Cl6 Cu F10 N5 O2 | P -1 | 10.2256; 13.2327; 15.2136 75.791; 82.911; 77.348 | 1941.9 | Lei, Haitao; Fang, Huayi; Han, Yongzhen; Lai, Wenzhen; Fu, Xuefeng; Cao, Rui Reactivity and Mechanism Studies of Hydrogen Evolution Catalyzed by Copper Corroles ACS Catalysis, 2015, 5, 5145 |
| 4513498 | CIF | C39 H12 Cl4 Cu F15 N4 | P 1 21/c 1 | 13.6323; 13.187; 21.0645 90; 105.96; 90 | 3640.78 | Lei, Haitao; Fang, Huayi; Han, Yongzhen; Lai, Wenzhen; Fu, Xuefeng; Cao, Rui Reactivity and Mechanism Studies of Hydrogen Evolution Catalyzed by Copper Corroles ACS Catalysis, 2015, 5, 5145 |
| 4513610 | CIF | C20 H20 Cl N O4 | P 21 21 21 | 8.1602; 11.357; 20.59 90; 90; 90 | 1908.2 | Bai, Xing-Feng; Xu, Zheng; Xia, Chun-Gu; Zheng, Zhan-Jiang; Xu, Li-Wen Aromatic-Amide-Derived Nonbiaryl Atropisomer as Highly Efficient Ligand for Asymmetric Silver-Catalyzed [3 + 2] Cycloaddition ACS Catalysis, 2015, 5, 6016 |
| 4513611 | CIF | C25 H23 N O3 | P 1 21 1 | 6.0364; 17.033; 10.4225 90; 102.271; 90 | 1047.1 | Bai, Xing-Feng; Xu, Zheng; Xia, Chun-Gu; Zheng, Zhan-Jiang; Xu, Li-Wen Aromatic-Amide-Derived Nonbiaryl Atropisomer as Highly Efficient Ligand for Asymmetric Silver-Catalyzed [3 + 2] Cycloaddition ACS Catalysis, 2015, 5, 6016 |
| 4513656 | CIF | C29 H27 N O6 S | C 1 2 1 | 27.301; 8.7461; 10.8469 90; 96.239; 90 | 2574.7 | Hao, Xiaoyu; Lin, Lili; Tan, Fei; Yin, Chengkai; Liu, Xiaohua; Feng, Xiaoming Ligand Control of Diastereodivergency in Asymmetric Inverse Electron Demand Diels‒Alder Reaction ACS Catalysis, 2015, 5, 6052 |
| 4513657 | CIF | C29 H27 N O6 S | P 21 21 21 | 12.1813; 12.9222; 16.9425 90; 90; 90 | 2666.9 | Hao, Xiaoyu; Lin, Lili; Tan, Fei; Yin, Chengkai; Liu, Xiaohua; Feng, Xiaoming Ligand Control of Diastereodivergency in Asymmetric Inverse Electron Demand Diels‒Alder Reaction ACS Catalysis, 2015, 5, 6052 |
| 4513663 | CIF | C32 H42 Ag N2 | C 1 2/c 1 | 16.043; 6.7774; 27.121 90; 94.443; 90 | 2940 | Liu, Qilun; Yuan, Zheliang; Wang, Hao-yang; Li, Yang; Wu, Yichen; Xu, Tao; Leng, Xuebing; Chen, Pinhong; Guo, Yin-long; Lin, Zhenyang; Liu, Guosheng Abnormal Mesoionic Carbene Silver Complex: Synthesis, Reactivity, and Mechanistic Insight on Oxidative Fluorination ACS Catalysis, 2015, 5, 6732 |
| 4513664 | CIF | C32 H40 Ag F2 N3 O3 | C 1 2/c 1 | 30.342; 14.1754; 27.882 90; 98.13; 90 | 11872 | Liu, Qilun; Yuan, Zheliang; Wang, Hao-yang; Li, Yang; Wu, Yichen; Xu, Tao; Leng, Xuebing; Chen, Pinhong; Guo, Yin-long; Lin, Zhenyang; Liu, Guosheng Abnormal Mesoionic Carbene Silver Complex: Synthesis, Reactivity, and Mechanistic Insight on Oxidative Fluorination ACS Catalysis, 2015, 5, 6732 |
| 4513677 | CIF | C25 H28 Cr N O4 P | P 21 21 21 | 10.0194; 14.8755; 33.308 90; 90; 90 | 4964.3 | Radcliffe, James E.; Batsanov, Andrei S.; Smith, David M.; Scott, John A.; Dyer, Philip W.; Hanton, Martin J. Phosphanyl Methanimine (PCN) Ligands for the Selective Trimerization/Tetramerization of Ethylene with Chromium ACS Catalysis, 2015, 5, 7095 |
| 4513678 | CIF | C29 H36 Cr N O4 P | P 1 21/n 1 | 11.79138; 14.69577; 16.3394 90; 94.4771; 90 | 2822.71 | Radcliffe, James E.; Batsanov, Andrei S.; Smith, David M.; Scott, John A.; Dyer, Philip W.; Hanton, Martin J. Phosphanyl Methanimine (PCN) Ligands for the Selective Trimerization/Tetramerization of Ethylene with Chromium ACS Catalysis, 2015, 5, 7095 |
| 4513679 | CIF | C32 H38 Cl3 N P2 Pd S | P b c a | 11.77; 16.605; 35.069 90; 90; 90 | 6854 | Sui, Xuelin; Dai, Shengyu; Chen, Changle Ethylene Polymerization and Copolymerization with Polar Monomers by Cationic Phosphine Phosphonic Amide Palladium Complexes ACS Catalysis, 2015, 5, 5932 |
| 4513680 | CIF | C31 H36 Cl N O P2 Pd | C 1 c 1 | 12.1032; 15.8942; 16.1513 90; 106.192; 90 | 2983.8 | Sui, Xuelin; Dai, Shengyu; Chen, Changle Ethylene Polymerization and Copolymerization with Polar Monomers by Cationic Phosphine Phosphonic Amide Palladium Complexes ACS Catalysis, 2015, 5, 5932 |
| 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 |
| 4513763 | CIF | C19 H24 Cl F6 N3 P Rh | P -1 | 7.8557; 11.6834; 13.6223 103.37; 94.785; 101.888 | 1178.97 | Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules ACS Catalysis, 2015, 709 |
| 4513764 | CIF | C20 H26 Cl F6 N3 O P Rh | P c a 21 | 15.666; 7.2906; 21.328 90; 90; 90 | 2436 | Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules ACS Catalysis, 2015, 709 |
| 4513765 | CIF | C25 H29 Cl F6 N4 P Rh | C 1 2/c 1 | 30.566; 8.1625; 22.272 90; 98.215; 90 | 5499.7 | Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules ACS Catalysis, 2015, 709 |
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