Information card for entry 7116542

Structure parameters

• Formula: C32 H23
• Calculated formula: C32 H23
• Title of publication: Separation of xylenes by enclathration
• Authors of publication: Luigi R. Nassimbeni; Nikoletta B. Bathori; Leena Desiree Patel; Hong Su; Edwin Weber
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 3627
• a: 14.154 ± 0.003 Å
• b: 9.1925 ± 0.0018 Å
• c: 17.307 ± 0.004 Å
• α: 90°
• β: 100.42 ± 0.03°
• γ: 90°
• Cell volume: 2214.7 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No