Information card for entry 7114920

Structure parameters

• Formula: C45 H36 N1.5 O2 P Rh
• Calculated formula: C45 H36 N1.5 O2 P Rh
• Title of publication: Enantiocontrol in the intermolecular cyclopropanation reaction catalyzed by dirhodium(ii) complexes with ortho-metalated aryl phosphine ligands
• Authors of publication: Barberis, Mario; Pérez-Prieto, Julia; Lahuerta, Pascual; Sanaú, Mercedes
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 5
• Pages of publication: 439
• a: 14.4211 ± 0.0006 Å
• b: 14.4211 ± 0.0006 Å
• c: 34.489 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7172.6 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No