Information card for entry 7051853

Structure parameters

• Common name: 9,9'-(Biphenyl-4,4'-diyl)difluoren-9-ol. 1.15(tetrahydrofuran). 0.85(diethyl ether) clathrate
• Chemical name: 9,9'-(Biphenyl-4,4'-diyl)difluoren-9-ol. 1.15(tetrahydrofuran). 0.85(diethyl ether) clathrate
• Formula: C46 H44 O4
• Calculated formula: C46 H42 O4
• Title of publication: Selectivity and structure of mixed guest clathrates
• Authors of publication: le Roex, Tanya; Nassimbeni, Luigi R.; Weber, Edwin
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 856
• a: 15.1157 ± 0.0003 Å
• b: 15.2709 ± 0.0004 Å
• c: 15.7497 ± 0.0004 Å
• α: 90°
• β: 100.986 ± 0.001°
• γ: 90°
• Cell volume: 3568.88 ± 0.15 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• 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: 0.1218
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No