Crystallography Open Database

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4512454 CIFC17 H26 O4P 1 21/c 15.4051; 35.529; 16.8799
90; 99.541; 90
3196.7Weiss, Marcel; Peters, René
Catalytic Direct Dehydrogenative Cross-Couplings of C‒H (Pro)Nucleophiles and Allylic Alcohols without an Additional Oxidant
ACS Catalysis, 2015, 5, 310
4512455 CIFC23 H27 N OP 1 21 15.1067; 11.928; 15.558
90; 96.711; 90
941.19Weiss, Marcel; Peters, René
Catalytic Direct Dehydrogenative Cross-Couplings of C‒H (Pro)Nucleophiles and Allylic Alcohols without an Additional Oxidant
ACS Catalysis, 2015, 5, 310
4512456 CIFC22 H19 F4 N O4P 21 21 2112.878; 15.68; 19.97
90; 90; 90
4032Avidan-Shlomovich, Shlomit; Ghosh, Harisadhan; Szpilman, Alex M.
Synthetic and Mechanistic Study of the Catalytic Enantioselective Preparation of Primary β-Amino Ketones from Enones and a Fluorinated Gabriel Reagent
ACS Catalysis, 2015, 5, 336
4512457 CIFC22 H27.5 Cl2 N3.5 Ni O8 PC 1 2/c 128.443; 8.4569; 22.9631
90; 107.39; 90
5271.1Chen, Lingjing; Chen, Gui; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Anxolabéhère-Mallart, Elodie; Robert, Marc; Lau, Tai-Chu
Dual Homogeneous and Heterogeneous Pathways in Photo- and Electrocatalytic Hydrogen Evolution with Nickel(II) Catalysts Bearing Tetradentate Macrocyclic Ligands
ACS Catalysis, 2015, 5, 356
4512458 CIFC15 H25 Cl2 N3 Ni O8 SP -18.7289; 8.7999; 13.9708
93.47; 106.608; 93.681
1022.76Chen, Lingjing; Chen, Gui; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Anxolabéhère-Mallart, Elodie; Robert, Marc; Lau, Tai-Chu
Dual Homogeneous and Heterogeneous Pathways in Photo- and Electrocatalytic Hydrogen Evolution with Nickel(II) Catalysts Bearing Tetradentate Macrocyclic Ligands
ACS Catalysis, 2015, 5, 356
4512459 CIFC30 H42 Cl4 N6 Ni2 O8 S2P -18.0156; 12.2115; 19.7215
91.373; 99.117; 93.388
1901.6Chen, Lingjing; Chen, Gui; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Anxolabéhère-Mallart, Elodie; Robert, Marc; Lau, Tai-Chu
Dual Homogeneous and Heterogeneous Pathways in Photo- and Electrocatalytic Hydrogen Evolution with Nickel(II) Catalysts Bearing Tetradentate Macrocyclic Ligands
ACS Catalysis, 2015, 5, 356
4512460 CIFC24 H36 Cl2 N3 Ni O9 PP -19.3883; 13.0308; 13.093
79.943; 89.364; 73.953
1514.52Chen, Lingjing; Chen, Gui; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Anxolabéhère-Mallart, Elodie; Robert, Marc; Lau, Tai-Chu
Dual Homogeneous and Heterogeneous Pathways in Photo- and Electrocatalytic Hydrogen Evolution with Nickel(II) Catalysts Bearing Tetradentate Macrocyclic Ligands
ACS Catalysis, 2015, 5, 356
4512489 CIFC20 H16 Br Fe N5C 1 2/c 116.847; 13.0275; 16.3223
90; 96.25; 90
3561Tseng, 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 CIFC25 H24 F3 Fe N5 O4 SP 18.4756; 8.8071; 18.6806
99.732; 90.796; 112.598
1264.06Tseng, 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 CIFC23 H19 F6 Fe N5 O6 S2P -110.7036; 12.1278; 12.2733
66.351; 73.133; 69.747
1347.8Tseng, 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 CIFC40 H36 Cl2 F3 N3 O7 P Re SP 1 21/n 112.089; 9.0476; 36.982
90; 91.534; 90
4043.5Liu, 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 CIFC55 H46 F3 N2 O7 P2 Re SP 21 21 2111.209; 11.6194; 37.5809
90; 90; 90
4894.6Liu, 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 CIFC37 H56 Co N3 SiP 1 21/n 117.8016; 12.0498; 18.7953
90; 117.63; 90
3571.93Palmer, 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 CIFC31 H45 Co N2C 1 2/c 116.1764; 9.2233; 18.8751
90; 92.623; 90
2813.2Palmer, 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 CIFC38 H57 Co N2C 1 2/c 138.978; 10.046; 18.259
90; 104.3; 90
6928Palmer, 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 CIFC19 H22 Co N3 SiP 1 21/n 111.086; 19.096; 16.774
90; 94.52; 90
3540Palmer, 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 CIFC14 H21 Cl Co N2 SiR -3 :H31.103; 31.103; 9.4729
90; 90; 120
7936.3Palmer, 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 CIFC45 H40 F4 N3 O P RuP 21 21 2113.869; 16.834; 16.985
90; 90; 90
3965.5McKay, 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 CIFC12 H20 Cl N3 NiP c a 2116.1973; 9.2551; 18.251
90; 90; 90
2736Pérez 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 CIFC20 H25 N3 NiP 1 21/n 19.7694; 14.6639; 12.8939
90; 100.806; 90
1814.4Pérez 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 CIFC144 H154 B2 Fe3 O13 P8P -114.7034; 15.3502; 30.5317
81.607; 77.192; 79.041
6558.1Bertini, 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 CIFC42 H44 Fe P4P -111.3961; 11.8042; 14.9611
88.014; 81.462; 63.904
1786.33Bertini, 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 CIFC49 H58 B F4 Fe N P4P -111.6311; 12.2422; 18.0737
104.224; 98.681; 106.392
2325.12Bertini, 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 CIFC66 H63 B Fe P4P -112.4918; 13.5351; 19.2058
92.091; 105.612; 94.273
3113.4Bertini, 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 CIFC103 H117 B4 F16 Fe2 N7 P8C 1 2/c 133.6116; 14.8734; 20.7957
90; 105.833; 90
10001.7Bertini, 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 CIFC58 H58 B2 F8 N2 Ni P4P 1 21/n 19.2602; 20.7179; 14.2353
90; 97.2; 90
2709.5Brown, 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 CIFC38 H44 B2 Cl4 F14 N2 Ni O4 P4P -110.3197; 13.2465; 19.7249
94.91; 101.046; 109.554
2460.92Brown, 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
4512852 CIFC58 H81 F12 Fe2 N9 O18 S4P 21 21 2116.9742; 17.1155; 50.282
90; 90; 90
14608Lyakin, 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 CIFC31 H27 F3 N2 O4 SP -19.4555; 12.671; 13.141
89.372; 83.024; 70.301
1470.6Ghorai, Debasish; Choudhury, Joyanta
Rhodium(III)‒N-Heterocyclic Carbene-Driven Cascade C‒H Activation Catalysis
ACS Catalysis, 2015, 5, 2692
4512855 CIFC45 H31 F3 N2 O3 SP -110.6172; 12.7911; 14.6372
102.793; 106.868; 96.17
1823.39Ghorai, Debasish; Choudhury, Joyanta
Rhodium(III)‒N-Heterocyclic Carbene-Driven Cascade C‒H Activation Catalysis
ACS Catalysis, 2015, 5, 2692
4512856 CIFC12 H10 N2 Ni S2P 1 21/c 112.301; 5.883; 8.098
90; 95.547; 90
583.3Das, 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 CIFC20 H36 N2 Ni O4 S6P -18.3237; 11.0567; 15.928
92.197; 99.883; 94.145
1438.4Das, 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 CIFC10 H17 N O3P 21 21 219.8502; 13.6853; 16.4912
90; 90; 90
2223.1Bae, 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 CIFC36 H52 Br Co N2 O2P 110.795; 12.6416; 14.6957
65.979; 89.9734; 71.994
1723.83North, 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 CIFC16 H12 F3 N O2P -18.167; 8.306; 10.825
91.64; 99.308; 92.741
723.3Albaladejo, 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 CIFBi4 Na20.72 O213.36 W36 Zn8P 1 21/n 113.234; 17.661; 20.966
90; 93.12; 90
4893Amanchi, 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 CIFBi2 Na4 O98.55 W18 Zn6P n n m16.187; 19.43; 14.641
90; 90; 90
4604.8Amanchi, 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 CIFC23 H24 Br N OP 21 21 217.2425; 15.4541; 17.01
90; 90; 90
1903.9Hu, 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 CIFC15 H B Br3 F18 N6 TlP -19.4814; 10.765; 13.9827
111.406; 92.343; 99.301
1303.49Gava, 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 CIFC17 H4 B Br3 Cu F18 N7C 1 2/c 121.9569; 16.6067; 17.0174
90; 105.863; 90
5968.8Gava, 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 CIFC19 H9 Ag B Br3 F18 N6 OP -19.5396; 12.6988; 12.9452
100.867; 94.371; 98.592
1514Gava, 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 CIFC24 H20 N4 O5 Ru SP -18.7507; 10.3497; 14.1618
79.212; 73.228; 77.234
1187.17Wang, 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 CIFC45 H57 Cl F N2 O3 P RuP -19.25; 10.543; 21.668
84.919; 89.766; 81.66
2082.5Guidone, 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 CIFC45 H57 F2 N2 O3 P RuP -19.123; 10.569; 21.751
94.901; 90.209; 99.166
2062.6Guidone, 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 CIFC49 H47 Cl F6 N2 P2 RuP -111.185; 12.2337; 15.712
87.763; 85.343; 75.988
2078.7Xie, Xiaoke; Huynh, Han Vinh
Tunable Dehydrogenative Amidation versus Amination Using a Single Ruthenium-NHC Catalyst
ACS Catalysis, 2015, 5, 4143
4513187 CIFC45 H47 Cl F6 N2 P2 RuC 1 c 118.524; 15.304; 14.862
90; 98.269; 90
4169.4Xie, Xiaoke; Huynh, Han Vinh
Tunable Dehydrogenative Amidation versus Amination Using a Single Ruthenium-NHC Catalyst
ACS Catalysis, 2015, 5, 4143
4513215 CIFC32 H28 B Fe PP 21 21 217.8373; 11.1807; 28.7574
90; 90; 90
2519.91Holstein, 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 CIFC20 H25 NP 1 21 18.4925; 18.0565; 21.7726
90; 92.034; 90
3336.61Holstein, 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 CIFC18 H21 NP -17.6079; 9.9255; 10.7036
113.746; 100.964; 95.416
713.05Holstein, 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 CIFC25 H29 Fe N OP 21 21 2110.843; 12.6988; 15.1797
90; 90; 90
2090.14Holstein, 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 CIFC43 H38 N O3.5 P Pd SP 41 21 214.5165; 14.5165; 37.1387
90; 90; 90
7826.2Holstein, 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 CIFC72 H78 N4 O11 Ti2P 43 21 212.3687; 12.3687; 44.436
90; 90; 90
6798Talsi, 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 CIFC76 H78 N4 O11 Ti2P 31 2 119.0457; 19.0457; 41.0671
90; 90; 120
12900.9Talsi, 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 CIFC65 H61 Cl3 N4 O6 Ti2P 1 21 111.5315; 19.176; 13.4627
90; 98.481; 90
2944.4Talsi, 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 CIFC68 H66 Br4 N4 O7 Ti2P 43 21 212.2324; 12.2324; 45.9762
90; 90; 90
6879.5Talsi, 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 CIFC64 H56 Br4 N4 O6 Ti2P 113.8302; 15.4438; 16.7517
108.353; 90.647; 116.089
3002.56Talsi, 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 CIFC54 H47 N4 O7P 21 21 2112.3766; 16.424; 28.578
90; 90; 90
5809.1Alcaide, 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 CIFC22 H22 N2 O3P 1 21 110.202; 7.487; 11.933
90; 100.922; 90
895Alcaide, 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 CIFC22 H16 F3 N O3 SC 1 2/c 140.887; 9.2404; 27.6197
90; 131.709; 90
7790.1Luo, 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 CIFC21 H16 B F4 NP 21 21 216.1068; 15.2343; 18.4646
90; 90; 90
1717.81Luo, 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 CIFC21 H16 F6 N SbC 1 2/c 113.0833; 9.1095; 33.015
90; 91.371; 90
3933.7Luo, 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 CIFC15 H13 Br N2P 4115.9607; 15.9607; 5.4313
90; 90; 90
1383.59Zhang, 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 CIFC38 H46 Au N3 O2P 1 21/n 19.1636; 36.3601; 21.4472
90; 97.684; 90
7081.8Hase, 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 CIFC39 H14 Cl6 Cu F10 N5 O2P -110.2256; 13.2327; 15.2136
75.791; 82.911; 77.348
1941.9Lei, 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 CIFC39 H12 Cl4 Cu F15 N4P 1 21/c 113.6323; 13.187; 21.0645
90; 105.96; 90
3640.78Lei, 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 CIFC20 H20 Cl N O4P 21 21 218.1602; 11.357; 20.59
90; 90; 90
1908.2Bai, 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 CIFC25 H23 N O3P 1 21 16.0364; 17.033; 10.4225
90; 102.271; 90
1047.1Bai, 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 CIFC29 H27 N O6 SC 1 2 127.301; 8.7461; 10.8469
90; 96.239; 90
2574.7Hao, 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 CIFC29 H27 N O6 SP 21 21 2112.1813; 12.9222; 16.9425
90; 90; 90
2666.9Hao, 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 CIFC32 H42 Ag N2C 1 2/c 116.043; 6.7774; 27.121
90; 94.443; 90
2940Liu, 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 CIFC32 H40 Ag F2 N3 O3C 1 2/c 130.342; 14.1754; 27.882
90; 98.13; 90
11872Liu, 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 CIFC25 H28 Cr N O4 PP 21 21 2110.0194; 14.8755; 33.308
90; 90; 90
4964.3Radcliffe, 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 CIFC29 H36 Cr N O4 PP 1 21/n 111.79138; 14.69577; 16.3394
90; 94.4771; 90
2822.71Radcliffe, 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 CIFC32 H38 Cl3 N P2 Pd SP b c a11.77; 16.605; 35.069
90; 90; 90
6854Sui, 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 CIFC31 H36 Cl N O P2 PdC 1 c 112.1032; 15.8942; 16.1513
90; 106.192; 90
2983.8Sui, Xuelin; Dai, Shengyu; Chen, Changle
Ethylene Polymerization and Copolymerization with Polar Monomers by Cationic Phosphine Phosphonic Amide Palladium Complexes
ACS Catalysis, 2015, 5, 5932
4516658 CIFC17 H16 OP -110.073; 10.958; 25.373
100.784; 100.991; 90.485
2697.9Qin, Guiping; Chen, Xiangning; Yang, Lei; Huang, Hanmin
Copper-Catalyzed α-Benzylation of Enones via Radical-Triggered Oxidative Coupling of Two C‒H Bonds
ACS Catalysis, 2015, 5, 2882
4516659 CIFC15 H19 F3 N4 O7P 1 21/c 110.6111; 9.3941; 19.1315
90; 91.384; 90
1906.5Huang, Lin; Lin, Jin-Shun; Tan, Bin; Liu, Xin-Yuan
Alkene Trifluoromethylation-Initiated Remote α-Azidation of Carbonyl Compounds toward Trifluoromethyl γ-Lactam and Spirobenzofuranone-Lactam
ACS Catalysis, 2015, 5, 2826
4516660 CIFC17 H15 Cl F3 N O5P n a 2115.896; 8.7193; 25.283
90; 90; 90
3504.3Huang, Lin; Lin, Jin-Shun; Tan, Bin; Liu, Xin-Yuan
Alkene Trifluoromethylation-Initiated Remote α-Azidation of Carbonyl Compounds toward Trifluoromethyl γ-Lactam and Spirobenzofuranone-Lactam
ACS Catalysis, 2015, 5, 2826
4516661 CIFC55 H40 Cl3 O3 P3 Si3P -3 c 115.5297; 15.5297; 24.1564
90; 90; 120
5045.3Iwai, Tomohiro; Konishi, Shota; Miyazaki, Tatsuya; Kawamorita, Soichiro; Yokokawa, Natsumi; Ohmiya, Hirohisa; Sawamura, Masaya
Silica-Supported Triptycene-Type Phosphine. Synthesis, Characterization, and Application to Pd-Catalyzed Suzuki‒Miyaura Cross-Coupling of Chloroarenes
ACS Catalysis, 2015, 5, 7254
4516662 CIFC38 H31 Cl N5 P RuP 1 21/c 133.581; 10.1257; 19.1334
90; 101.527; 90
6374.7Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.
Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity
ACS Catalysis, 2015, 5, 5468
4516663 CIFC44.5 H38 Cl F6 N5 O6 P Ru S2C 1 2/c 131.847; 12.7757; 25.6211
90; 117.055; 90
9283.7Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.
Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity
ACS Catalysis, 2015, 5, 5468
4516664 CIFC40 H33 F3 N5 O P RuP -19.4999; 10.3978; 18.4333
79.884; 84.512; 68.604
1667.97Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.
Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity
ACS Catalysis, 2015, 5, 5468
4516665 CIFC54 H42 Cl N5 P2 RuP 1 21/c 111.5459; 20.4778; 18.8418
90; 104.485; 90
4313.2Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.
Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity
ACS Catalysis, 2015, 5, 5468
4516666 CIFC56 H46 Cl N5 P2 RuP -111.8598; 13.6537; 16.6403
89.614; 87.952; 69.915
2529Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.
Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity
ACS Catalysis, 2015, 5, 5468
4516667 CIFC60 H54 Cl N5 O3.5 P2 RuP 1 21/c 123.8181; 11.25; 20.994
90; 115.986; 90
5056.7Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.
Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity
ACS Catalysis, 2015, 5, 5468
4516668 CIFC57 H49 Cl4 N5 P2 RuP n a 2121.7779; 23.4319; 9.6235
90; 90; 90
4910.8Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.
Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity
ACS Catalysis, 2015, 5, 5468
4516669 CIFC97 H81 N10 P2 Ru2P -113.7897; 15.8415; 19.6154
71.991; 73.73; 81.086
3900.9Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.
Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity
ACS Catalysis, 2015, 5, 5468
4516670 CIFC38 H32 Cl F6 N5 P2 RuP -19.0716; 12.721; 15.6504
93.195; 103.235; 93.102
1751.2Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.
Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity
ACS Catalysis, 2015, 5, 5468
4516671 CIFC34 H25 B Cu F4 N4 O3 PP 1 21/n 112.5021; 13.6073; 19.1227
90; 108.373; 90
3087.32Knorn, Matthias; Rawner, Thomas; Czerwieniec, Rafał; Reiser, Oliver
[Copper(phenanthroline)(bisisonitrile)]±Complexes for the Visible-Light-Mediated Atom Transfer Radical Addition and Allylation Reactions
ACS Catalysis, 2015, 5, 5186
4516672 CIFC42 H28 Cl10 N4 O6 P2 Pd2P -110.5194; 11.305; 12.8486
64.026; 86.154; 63.035
1207.7Knorn, Matthias; Rawner, Thomas; Czerwieniec, Rafał; Reiser, Oliver
[Copper(phenanthroline)(bisisonitrile)]±Complexes for the Visible-Light-Mediated Atom Transfer Radical Addition and Allylation Reactions
ACS Catalysis, 2015, 5, 5186
4516673 CIFC47 H35 B Cl2 Cu F4 N4 O3 PP b c n30.0446; 11.56203; 24.6258
90; 90; 90
8554.4Knorn, Matthias; Rawner, Thomas; Czerwieniec, Rafał; Reiser, Oliver
[Copper(phenanthroline)(bisisonitrile)]±Complexes for the Visible-Light-Mediated Atom Transfer Radical Addition and Allylation Reactions
ACS Catalysis, 2015, 5, 5186
4516674 CIFC44 H56 Fe Li N2 O Si2P 1 21/n 111.3913; 26.6073; 13.8664
90; 103.752; 90
4082.3Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg
Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application
ACS Catalysis, 2015, 5, 6230
4516675 CIFC35 H33 Fe N2 O3 PP 1 21/c 114.14; 13.3999; 16.5218
90; 112.094; 90
2900.6Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg
Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application
ACS Catalysis, 2015, 5, 6230
4516676 CIFC56 H53 Fe N2 PP 1 21/c 116.7305; 14.4122; 17.4229
90; 93.471; 90
4193.4Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg
Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application
ACS Catalysis, 2015, 5, 6230
4516677 CIFC38 H33 Fe N5P n a 2116.9958; 10.2025; 17.6294
90; 90; 90
3056.9Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg
Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application
ACS Catalysis, 2015, 5, 6230
4516678 CIFC368 H416 F24 Fe8 N16 Na4 O28.7 P4P 4/m n c17.2377; 17.2377; 27.3182
90; 90; 90
8117.3Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg
Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application
ACS Catalysis, 2015, 5, 6230
4516679 CIFC32 H24 Cl2 Fe N2P 1 21/c 119.5314; 9.7274; 13.93
90; 99.058; 90
2613.55Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg
Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application
ACS Catalysis, 2015, 5, 6230
4516680 CIFC46 H64 Fe N2 O4 TiP 21 21 2110.8375; 14.8073; 27.377
90; 90; 90
4393.3Brown, Lauren A.; Rhinehart, Jennifer L.; Long, Brian K.
Effects of Ferrocenyl Proximity and Monomer Presence during Oxidation for the Redox-Switchable Polymerization of l-Lactide
ACS Catalysis, 2015, 5, 6057
4516681 CIFC20 H18 F4P 1 21/a 16.1162; 15.02; 17.666
90; 96.537; 90
1612.3Ichitsuka, Tomohiro; Fujita, Takeshi; Ichikawa, Junji
Nickel-Catalyzed Allylic C(sp3)‒F Bond Activation of Trifluoromethyl Groups via β-Fluorine Elimination: Synthesis of Difluoro-1,4-dienes
ACS Catalysis, 2015, 5, 5947
4516682 CIFC35 H30 Cl2 N2 O4 SP 1 21 110.9711; 7.3155; 19.9974
90; 93.418; 90
1602.1Gao, Yuning; Xu, Qin; Shi, Min
Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita‒Baylis‒Hillman Reaction
ACS Catalysis, 2015, 5, 6608

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