Information card for entry 4122678

Structure parameters

• Formula: C42 H21 O4 P
• Calculated formula: C42 H21 O4 P
• Title of publication: Phosphorus-Containing Chiral Molecule for Fullerene Recognition Based on Concave/Convex Interaction.
• Authors of publication: Yamamura, Masaki; Saito, Tsuyoshi; Nabeshima, Tatsuya
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 40
• Pages of publication: 14299
• a: 11.548 ± 0.003 Å
• b: 16.863 ± 0.004 Å
• c: 16.778 ± 0.004 Å
• α: 90°
• β: 100.312 ± 0.003°
• γ: 90°
• Cell volume: 3214.5 ± 1.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1149
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.2383
• Weighted residual factors for all reflections included in the refinement: 0.2634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No