Information card for entry 7116540

Structure parameters

• Formula: C37 H30 O2
• Calculated formula: C37 H30 O2
• 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: 18.733 ± 0.004 Å
• b: 8.5251 ± 0.0017 Å
• c: 17.406 ± 0.004 Å
• α: 90°
• β: 95.92 ± 0.03°
• γ: 90°
• Cell volume: 2764.9 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No