Information card for entry 7238121

Structure parameters

• Formula: C24 H26 O3
• Calculated formula: C24 H26 O3
• Title of publication: Selectivity in guest‒host binding in assemblies of bisphenols
• Authors of publication: Sarma, Rupam J.; Baruah, Jubaraj B.
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 116
• Pages of publication: 706
• a: 9.771 ± 0.003 Å
• b: 10.467 ± 0.006 Å
• c: 11.703 ± 0.007 Å
• α: 99.62 ± 0.03°
• β: 101.62 ± 0.04°
• γ: 117.14 ± 0.03°
• Cell volume: 996.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No