Information card for entry 4075519

Structure parameters

• Formula: C21 H39 O2 P2 Rh
• Calculated formula: C21 H39 O2 P2 Rh
• SMILES: [Rh]12(OC(=CC(=[O]2)C)C)[P@]2([C@H](CCC2)[C@@H]2[P@]1(CCC2)C(C)(C)C)C(C)(C)C
• Title of publication: Evaluation of Asymmetric Hydrogenation Ligands in Asymmetric Hydroformylation Reactions. Highly Enantioselective Ligands Based on Bis-phosphacycles
• Authors of publication: Axtell, Alex T.; Klosin, Jerzy; Abboud, Khalil A.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 21
• Pages of publication: 5003
• a: 11.0103 ± 0.0004 Å
• b: 11.0103 ± 0.0004 Å
• c: 33.178 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3483.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No