Information card for entry 7101785

Structure parameters

• Common name: 9,9'(Biphenyl-4,4'-diyl)difluoren-9-ol.2(tetrahydrofuran) clathrate
• Chemical name: 9,9'(Biphenyl-4,4'-diyl)difluoren-9-ol.2(tetrahydrofuran) clathrate
• Formula: C46 H42 O4
• Calculated formula: C46 H42 O4
• SMILES: c1cccc2c1C(O)(c1ccc(cc1)c1ccc(cc1)C1(O)c3ccccc3c3ccccc13)c1ccccc21.O1CCCC1.O1CCCC1
• Title of publication: Clathrates with mixed guests.
• Authors of publication: le Roex, Tanya; Nassimbeni, Luigi R; Weber, Edwin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 11
• Pages of publication: 1124 - 1126
• a: 15.8094 ± 0.0005 Å
• b: 14.9432 ± 0.0004 Å
• c: 15.5776 ± 0.0004 Å
• α: 90°
• β: 103.219 ± 0.001°
• γ: 90°
• Cell volume: 3582.59 ± 0.17 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1244
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No