Information card for entry 4075518

Structure parameters

• Formula: C37 H71 O2 P4 Rh
• Calculated formula: C37 H71 O2 P4 Rh
• SMILES: [Rh]12([P@]3([C@H](CCC3)[C@@H]3[P@]1(CCC3)C(C)(C)C)C(C)(C)C)[P@]1([C@H](CCC1)[C@@H]1[P@]2(CCC1)C(C)(C)C)C(C)(C)C.[O-]C(=CC(=O)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: 12.96 ± 0.001 Å
• b: 14.822 ± 0.0011 Å
• c: 20.9965 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4033.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0839
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No