Information card for entry 4508514

Structure parameters

• Formula: C25 H27 F O3
• Calculated formula: C25 H27 F O3
• Title of publication: Polymorphs, Solvates, Polymorphs of Solvate and Cs±-π Interactions of Fluorine-Substitutedbis-Phenols
• Authors of publication: Nath, Bhaskar; Baruah, Jubaraj B.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 5146
• a: 10.1337 ± 0.0009 Å
• b: 11.882 ± 0.0007 Å
• c: 18.8355 ± 0.0016 Å
• α: 90°
• β: 104.929 ± 0.008°
• γ: 90°
• Cell volume: 2191.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1862
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No