Information card for entry 2015240

Structure parameters

• Common name: 2,2'-isopropylidenediphenol
• Chemical name: 2,2'-Isopropylidenediphenol
• Formula: C15 H16 O2
• Calculated formula: C15 H16 O2
• SMILES: Oc1ccccc1C(c1ccccc1O)(C)C
• Title of publication: 2,2'-Isopropylidenediphenol
• Authors of publication: Rozycka-Sokolowska, Ewa; Marciniak, Bernard; Pavlyuk, Volodymyr
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o162 - o164
• a: 7.032 ± 0.001 Å
• b: 10.419 ± 0.002 Å
• c: 17.017 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1246.8 ± 0.4 ų
• Cell temperature: 288 ± 1 K
• Ambient diffraction temperature: 288 ± 1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes