Crystallography Open Database

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4509833 CIFC22 H24 N2 O6P 659.8241; 9.8241; 37.0024
90; 90; 120
3092.76Barber, David M.; Duriš, Andrej; Thompson, Amber L.; Sanganee, Hitesh J.; Dixon, Darren J.
One-Pot Asymmetric Nitro-Mannich/Hydroamination Cascades for the Synthesis of Pyrrolidine Derivatives: Combining Organocatalysis and Gold Catalysis.
ACS catalysis, 2014, 4, 634-638
4509834 CIFC34 H30 Cl N O4 SP 1 21/c 113.489; 19.154; 12.366
90; 116.81; 90
2851.5Li, Erqing; Jia, Penghao; Liang, Ling; Huang, You
Phosphine-Catalyzed Sequential [2 +3] and [3 + 2] Annulation Domino Reaction of γ-Benzyl-Substituted Allenoates with α,β-Unsaturated Ketimines To Construct aza-Bicyclo[3,3,0]octane Derivatives
ACS Catalysis, 2014, 4, 600
4509835 CIFC15.5 H19 I Ir N O2P 1 21/c 19.0412; 31.3975; 12.3426
90; 96.356; 90
3482.2Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael
Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation
ACS Catalysis, 2014, 4, 152
4509836 CIFC14 H23 Cl Ir N O2P -19.1576; 11.2916; 16.2687
99.653; 91.159; 91.704
1657.2Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael
Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation
ACS Catalysis, 2014, 4, 152
4509837 CIFC42 H63 F9 Ir3 N3 O16 S3P 21 21 2112.8738; 16.382; 26.73
90; 90; 90
5637.3Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael
Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation
ACS Catalysis, 2014, 4, 152
4509838 CIFC15 H22 F3 Ir N2 O5 SC 1 2/c 126.456; 8.5874; 21.4517
90; 121.888; 90
4138.1Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael
Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation
ACS Catalysis, 2014, 4, 152
4509839 CIFC14 H26 Cl Ir N2 O2P -18.9727; 10.0097; 10.1814
75.441; 78.89; 68.698
819.37Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael
Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation
ACS Catalysis, 2014, 4, 152
4509840 CIFC10.5 H26 Cl2 Ir N3 O0.5P 1 21/c 110.3281; 13.3359; 24.1586
90; 94.1269; 90
3318.8Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael
Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation
ACS Catalysis, 2014, 4, 152
4509841 CIFC6 H13 N O2P 1 21/n 18.3622; 9.0389; 9.9889
90; 105.24; 90
728.5Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael
Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation
ACS Catalysis, 2014, 4, 152
4509842 CIFC42 H34 Cl6 O6 P2 RuP -19.915; 11.919; 20.194
97.563; 91.49; 112.378
2180Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A.
Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions
ACS Catalysis, 2014, 4, 311
4509843 CIFC76 H64 Na O30 P3 Ru6P -116.3958; 17.5531; 17.6055
101.46; 113.756; 107.585
4111.9Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A.
Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions
ACS Catalysis, 2014, 4, 311
4509844 CIFC42.2 H34 Cl0.3 O2.71 P2 RuP 1 21/c 117.7301; 12.3659; 18.3431
90; 102.999; 90
3918.6Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A.
Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions
ACS Catalysis, 2014, 4, 311
4509845 CIFC39 H32 O6 P2 RuP b c n19.0814; 10.8848; 15.6495
90; 90; 90
3250.4Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A.
Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions
ACS Catalysis, 2014, 4, 311
4509846 CIFC42 H32 O8 P2 Ru2P 1 21/n 113.2898; 19.8988; 14.5203
90; 94.197; 90
3829.6Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A.
Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions
ACS Catalysis, 2014, 4, 311
4509847 CIFC19 H22 Cl F N2 OP -19.508; 9.679; 10.314
82.54; 74.65; 73.17
874.7Gu, Zheng-Yang; Zhu, Tong-Hao; Cao, Jia-Jia; Xu, Xiao-Ping; Wang, Shun-Yi; Ji, Shun-Jun
Palladium-Catalyzed Cascade Reactions of Isocyanides with Enaminones: Synthesis of 4-Aminoquinoline Derivatives
ACS Catalysis, 2014, 4, 49
4510029 CIFC19 H44 B2 F8 Ir N4 O2 P3P 21 21 2112.4567; 14.2413; 18.0693
90; 90; 90
3205.5Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.
Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes
ACS Catalysis, 2014, 4, 973
4510030 CIFC15 H21 B Cl F4 Ir N4P 1 21 18.4218; 10.3619; 10.7421
90; 102.256; 90
916.05Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.
Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes
ACS Catalysis, 2014, 4, 973
4510031 CIFC36 H63 B Cl F4 Ir N4 OP 1 21/c 113.9451; 22.7483; 13.5566
90; 112.44; 90
3974.9Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.
Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes
ACS Catalysis, 2014, 4, 973
4510032 CIFC27 H53 B2 F8 Ir N4 O3 P2P 21 21 2110.2065; 11.645; 30.295
90; 90; 90
3600.7Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.
Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes
ACS Catalysis, 2014, 4, 973
4510033 CIFC24 H44 B2 F8 Ir N4 O PP 1 21/c 110.6139; 10.4084; 27.7107
90; 96.783; 90
3039.9Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.
Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes
ACS Catalysis, 2014, 4, 973
4510034 CIFC20 H45 B2 F8 Ir N4 P4P 1 21/c 115.4119; 10.641; 20.2231
90; 102.973; 90
3231.9Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.
Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes
ACS Catalysis, 2014, 4, 973
4510035 CIFC28 H36 N Ni O PP 1 21/c 110.6892; 27.0455; 9.0785
90; 108.475; 90
2489.28Stephenson, Casey J.; McInnis, Jennifer P.; Chen, Changle; Weberski, Michael P.; Motta, Alessandro; Delferro, Massimiliano; Marks, Tobin J.
Ni(II) Phenoxyiminato Olefin Polymerization Catalysis: Striking Coordinative Modulation of Hyperbranched Polymer Microstructure and Stability by a Proximate Sulfonyl Group
ACS Catalysis, 2014, 4, 999
4510036 CIFC53 H52 N2 Ni O6 S2C 1 c 116.4657; 18.901; 16.0566
90; 112.481; 90
4617.4Stephenson, Casey J.; McInnis, Jennifer P.; Chen, Changle; Weberski, Michael P.; Motta, Alessandro; Delferro, Massimiliano; Marks, Tobin J.
Ni(II) Phenoxyiminato Olefin Polymerization Catalysis: Striking Coordinative Modulation of Hyperbranched Polymer Microstructure and Stability by a Proximate Sulfonyl Group
ACS Catalysis, 2014, 4, 999
4510037 CIFC22 H32 N Ni O3 P SP -110.1443; 10.6795; 11.1867
89.583; 69.987; 83.908
1131.76Stephenson, Casey J.; McInnis, Jennifer P.; Chen, Changle; Weberski, Michael P.; Motta, Alessandro; Delferro, Massimiliano; Marks, Tobin J.
Ni(II) Phenoxyiminato Olefin Polymerization Catalysis: Striking Coordinative Modulation of Hyperbranched Polymer Microstructure and Stability by a Proximate Sulfonyl Group
ACS Catalysis, 2014, 4, 999
4510383 CIFC19 H17 O4 PP 1 21 18.8426; 7.5945; 12.9242
90; 90.186; 90
867.92Zhou, Yougui; Zhang, Xuepeng; Liang, Huiyi; Cao, Zhenkun; Zhao, Xiaoyu; He, Yuwei; Wang, Shouliang; Pang, Jiyan; Zhou, Zhongyuan; Ke, Zhuofeng; Qiu, Liqin
Enantioselective Synthesis of Axially Chiral Biaryl Monophosphine Oxides via Direct Asymmetric Suzuki Coupling and DFT Investigations of the Enantioselectivity
ACS Catalysis, 2014, 4, 1390
4510384 CIFC29 H21 O2 PP 21 21 2110.228; 20.6215; 21.8081
90; 90; 90
4599.69Zhou, Yougui; Zhang, Xuepeng; Liang, Huiyi; Cao, Zhenkun; Zhao, Xiaoyu; He, Yuwei; Wang, Shouliang; Pang, Jiyan; Zhou, Zhongyuan; Ke, Zhuofeng; Qiu, Liqin
Enantioselective Synthesis of Axially Chiral Biaryl Monophosphine Oxides via Direct Asymmetric Suzuki Coupling and DFT Investigations of the Enantioselectivity
ACS Catalysis, 2014, 4, 1390
4510477 CIFC36 H39 F6 Mn N4 O6.5 S2P 1 21 110.6617; 24.3076; 15.0889
90; 90.1235; 90
3910.44Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.
Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts
ACS Catalysis, 2014, 4, 1599
4510478 CIFC30 H30 F6 Mn N4 O6 S2P 1 21 19.6677; 15.7748; 11.2312
90; 105.41; 90
1651.25Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.
Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts
ACS Catalysis, 2014, 4, 1599
4510479 CIFC28 H38 F6 Mn N4 O8 S2P 21 21 217.4006; 17.4254; 11.0395
90; 90; 90
3347.3Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.
Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts
ACS Catalysis, 2014, 4, 1599
4510480 CIFC26 H36 F6 Mn N6 O6 S2I 2 332.4626; 32.4626; 32.4626
90; 90; 90
34210Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.
Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts
ACS Catalysis, 2014, 4, 1599
4510481 CIFC30 H44 F6 Mn N6 O6 S2P 1 21 18.6096; 19.9107; 11.0566
90; 110.506; 90
1775.26Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.
Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts
ACS Catalysis, 2014, 4, 1599
4510813 CIFC115 H96 Cl25 N8 O8 Pd4 Ru2 S4P 1 21 115.433; 29.985; 15.798
90; 119.094; 90
6388.2Hellmuth, Tina; Rieckhoff, Stefan; Weiss, Marcel; Dorst, Konstantin; Frey, Wolfgang; Peters, René
Cooperative Bimetallic Asymmetric Catalysis: Comparison of a Planar Chiral Ruthenocene Bis-Palladacycle to the Corresponding Ferrocene
ACS Catalysis, 2014, 4, 1850
4510814 CIFC65 H56 Cl4 N4 O4 Pd2 Ru2 S2P 21 21 2111.5116; 13.6607; 39.4718
90; 90; 90
6207.2Hellmuth, Tina; Rieckhoff, Stefan; Weiss, Marcel; Dorst, Konstantin; Frey, Wolfgang; Peters, René
Cooperative Bimetallic Asymmetric Catalysis: Comparison of a Planar Chiral Ruthenocene Bis-Palladacycle to the Corresponding Ferrocene
ACS Catalysis, 2014, 4, 1850
4510942 CIFC30 H28 Br N3 PdC 1 2/c 135.108; 12.2811; 18.782
90; 140.71; 90
5128Sabater, Sara; Mata, Jose A.; Peris, Eduardo
Catalyst Enhancement and Recyclability by Immobilization of Metal Complexes onto Graphene Surface by Noncovalent Interactions
ACS Catalysis, 2014, 4, 2038
4511609 CIFC32 H34 Br0.56 Cl0.44 N5 O RuC 1 c 114.6916; 19.3357; 12.8728
90; 111.282; 90
3407.43Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A.
Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties
ACS Catalysis, 2014, 4, 2667
4511610 CIFC34 H37 B F4 N6 O RuP -110.2126; 12.2383; 16.6522
96.359; 100.516; 101.949
1977.96Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A.
Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties
ACS Catalysis, 2014, 4, 2667
4511611 CIFC35 H41 Br N6 O2 RuC 1 2/c 121.7318; 11.4791; 30.4353
90; 107.522; 90
7240.2Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A.
Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties
ACS Catalysis, 2014, 4, 2667
4511612 CIFC40 H49 Br N6 O RuP 1 21/n 113.7607; 17.3199; 18.3721
90; 108.243; 90
4158.6Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A.
Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties
ACS Catalysis, 2014, 4, 2667
4511613 CIFC40 H43 Br N6 O2 RuP 1 21/c 118.358; 14.6031; 14.0683
90; 93.583; 90
3764.1Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A.
Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties
ACS Catalysis, 2014, 4, 2667
4511614 CIFC60 H67 Br0.65 Cl0.35 N7 O P RuP -110.6089; 15.4581; 18.9255
70.365; 88.255; 84.453
2909.49Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A.
Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties
ACS Catalysis, 2014, 4, 2667
4511615 CIFC21 H29 N2 O3 P RuP -18.6291; 15.0143; 16.9802
88.131; 88.041; 86.19
2192.79Hu, Peng; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David
Reusable Homogeneous Catalytic System for Hydrogen Production from Methanol and Water
ACS Catalysis, 2014, 4, 2649
4511628 CIFC31 H34 N O6 P Pd SP 1 21/c 115.784; 10.3015; 19.7923
90; 90.938; 90
3217.8Wucher, Philipp; Schwaderer, Judith B.; Mecking, Stefan
Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer Insertion Copolymerization
ACS Catalysis, 2014, 4, 2672
4511629 CIFC26 H26 N O5 P Pd SP 1 21/c 19.5988; 8.6559; 29.9833
90; 106.094; 90
2393.6Wucher, Philipp; Schwaderer, Judith B.; Mecking, Stefan
Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer Insertion Copolymerization
ACS Catalysis, 2014, 4, 2672
4511630 CIFC48 H54 Cl2 Li2 O12 P2 Pd2 S2P -19.6353; 10.7338; 13.7048
103.819; 93.508; 106.9
1303.85Wucher, Philipp; Schwaderer, Judith B.; Mecking, Stefan
Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer Insertion Copolymerization
ACS Catalysis, 2014, 4, 2672
4511631 CIFC27 H28 N O6 P Pd SP 1 21/c 113.7944; 9.9669; 22.1792
90; 120.694; 90
2622.2Wucher, Philipp; Schwaderer, Judith B.; Mecking, Stefan
Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer Insertion Copolymerization
ACS Catalysis, 2014, 4, 2672
4511643 CIFC13 H10 Br F3 O2P 21 21 216.384; 11.747; 17.072
90; 90; 90
1280.3Davies, Alyn T.; Pickett, Philip M.; Slawin, Alexandra M. Z.; Smith, Andrew D.
Asymmetric Synthesis of Tri- and Tetrasubstituted Trifluoromethyl Dihydropyranones from α-Aroyloxyaldehydes via NHC Redox Catalysis
ACS Catalysis, 2014, 4, 2696
4511644 CIFC14 H12 Br F3 O2P 1 21 18.1604; 9.5399; 9.6845
90; 109.041; 90
712.7Davies, Alyn T.; Pickett, Philip M.; Slawin, Alexandra M. Z.; Smith, Andrew D.
Asymmetric Synthesis of Tri- and Tetrasubstituted Trifluoromethyl Dihydropyranones from α-Aroyloxyaldehydes via NHC Redox Catalysis
ACS Catalysis, 2014, 4, 2696
4511645 CIFC13 H14 Br F3 O2P 21 21 216.043; 7.8416; 29.273
90; 90; 90
1387.2Davies, Alyn T.; Pickett, Philip M.; Slawin, Alexandra M. Z.; Smith, Andrew D.
Asymmetric Synthesis of Tri- and Tetrasubstituted Trifluoromethyl Dihydropyranones from α-Aroyloxyaldehydes via NHC Redox Catalysis
ACS Catalysis, 2014, 4, 2696
4511667 CIFC19 H12 I N OP 1 21 18.2619; 7.6594; 12.583
90; 99.974; 90
784.2Gao, De-Wei; Gu, Qing; You, Shu-Li
Pd(II)-Catalyzed Intermolecular Direct C‒H Bond Iodination: An Efficient Approach toward the Synthesis of Axially Chiral Compounds via Kinetic Resolution
ACS Catalysis, 2014, 4, 2741
4511670 CIFC56 H70 Cl10 N4 Ru2C 1 2/c 123.4392; 12.8809; 20.9819
90; 108.654; 90
6002Gonell, Sergio; Peris, Eduardo
Pyrene-Based Mono- and Di-N-Heterocyclic Carbene Ligand Complexes of Ruthenium for the Preparation of Mixed Arylated/Alkylated Arylpyridines
ACS Catalysis, 2014, 4, 2811

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