Information card for entry 4069106

Structure parameters

• Common name: intermediate (R,S)-4
• Formula: C16 H16 O2 P
• Calculated formula: C16 H16 O2 P
• Title of publication: PNNP Macrocycles: A New Class of Ligands for Asymmetric Catalysis
• Authors of publication: Ranocchiari, Marco; Mezzetti, Antonio
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 5
• Pages of publication: 1286
• a: 12.023 ± 0.002 Å
• b: 14.893 ± 0.003 Å
• c: 15.451 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2766.6 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.103
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No