Information card for entry 4083556

Structure parameters

• Formula: C48.5 H57 B O3 P2
• Calculated formula: C48.5 H57 B O3 P2
• Title of publication: 1,1-P‒OP Ligands with P-Stereogenic Phosphino Groups in Asymmetric Hydrogenations and Hydroformylations
• Authors of publication: Lao, Joan R.; Benet-Buchholz, J.; Vidal-Ferran, Anton
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 12
• Pages of publication: 2960
• a: 10.9989 ± 0.0012 Å
• b: 11.2875 ± 0.0012 Å
• c: 18.3289 ± 0.0019 Å
• α: 103.662 ± 0.003°
• β: 90.306 ± 0.004°
• γ: 105.477 ± 0.003°
• Cell volume: 2125.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No