Information card for entry 1512186

Structure parameters

• Formula: C42 H36 B Cl2 F4 O3 P2 Rh
• Calculated formula: C42 H36 B Cl2 F4 O3 P2 Rh
• SMILES: [Rh]1234([P]5(Oc6c(c7c(cc6)cccc7)c6c(O5)ccc5c6cccc5)O[C@H]([P]1(c1ccccc1)c1ccccc1)C)[CH]1=[CH]2C2[CH]3=[CH]4C1C2.[B](F)(F)(F)[F-].C(Cl)Cl
• Title of publication: Small Bite-Angle P-OP Ligands for Asymmetric Hydroformylation and Hydrogenation.
• Authors of publication: Fernández-Pérez, Héctor; Benet-Buchholz, J; Vidal-Ferran, Anton
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 14
• Pages of publication: 3634 - 3637
• a: 10.657 ± 0.0012 Å
• b: 16.6458 ± 0.0019 Å
• c: 22.554 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4001 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.207
• Weighted residual factors for all reflections included in the refinement: 0.2131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No