Information card for entry 7206082

Structure parameters

• Formula: C23 H25 O2
• Calculated formula: C23 H25 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: 29.898 ± 0.002 Å
• b: 6.0728 ± 0.0003 Å
• c: 20.9859 ± 0.0012 Å
• α: 90°
• β: 110.252 ± 0.003°
• γ: 90°
• Cell volume: 3574.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0636
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No