Information card for entry 7206081

Structure parameters

• Formula: C28 H32 O2
• Calculated formula: C28 H32 O2
• Title of publication: Design of a new inclusion host: 3,7-diphenylbicyclo[3.3.0]octane-endo-3,endo-7-diol
• Authors of publication: Chan, Isa Y. H.; Bhadbhade, Mohan M.; Bishop, Roger
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 3162
• a: 21.82 ± 0.06 Å
• b: 6.006 ± 0.018 Å
• c: 34.11 ± 0.1 Å
• α: 90°
• β: 95.12 ± 0.18°
• γ: 90°
• Cell volume: 4452 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.3075
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.1637
• Weighted residual factors for all reflections included in the refinement: 0.2571
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No