Information card for entry 1503241

Structure parameters

• Common name: (R,R)-1,2-Bis(tert-butylmethylphosphino)benzene(1,5-cyclooctadiene)rhodium(I) hexafluoroantiomonate
• Formula: C52 H88 F12 O2 P4 Rh2 Sb2
• Calculated formula: C52 H88 F12 O2 P4 Rh2 Sb2
• SMILES: [Sb](F)(F)(F)(F)(F)[F-].[Rh]1234([P](c5ccccc5[P]1(C(C)(C)C)C)(C(C)(C)C)C)[CH]1=[CH]3CC[CH]2=[CH]4CC1.O(C(=O)C)CC
• Title of publication: Enantiopure 1,2-bis(tert-butylmethylphosphino)benzene as a highly efficient ligand in rhodium-catalyzed asymmetric hydrogenation.
• Authors of publication: Tamura, Ken; Sugiya, Masashi; Yoshida, Kazuhiro; Yanagisawa, Akira; Imamoto, Tsuneo
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 19
• Pages of publication: 4400 - 4403
• a: 9.3013 ± 0.0008 Å
• b: 17.9217 ± 0.0015 Å
• c: 18.9114 ± 0.0016 Å
• α: 90°
• β: 101.888 ± 0.001°
• γ: 90°
• Cell volume: 3084.8 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 0.792
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No