Information card for entry 1529291

Structure parameters

• Formula: C164 H98 Cl6 O12 P4
• Calculated formula: C164 H98 Cl6 O12 P4
• Title of publication: Twofold fused concave hosts containing two phosphorus atoms: modules for the sandwich-type encapsulation of fullerenes in variable cavities
• Authors of publication: Yamamura, Masaki; Hongo, Daigo; Nabeshima, Tatsuya
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 11
• Pages of publication: 6373
• a: 21.98 ± 0.005 Å
• b: 17.101 ± 0.004 Å
• c: 17.472 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6567 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No