Information card for entry 2014677

Structure parameters

• Chemical name: 2,4'-(propane-2,2-diyl)diphenol
• Formula: C15 H16 O2
• Calculated formula: C15 H16 O2
• SMILES: c1cccc(c1C(C)(C)c1ccc(cc1)O)O
• Title of publication: 2,4'-Isopropylidenediphenol
• Authors of publication: Rozycka-Sokolowska, Ewa; Marciniak, Bernard; Pavlyuk, Volodymyr; Dziwinski, Euzebiusz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: o45 - o46
• a: 13.621 ± 0.003 Å
• b: 12.461 ± 0.002 Å
• c: 7.232 ± 0.001 Å
• α: 90°
• β: 93.62 ± 0.03°
• γ: 90°
• Cell volume: 1225 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.067
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes