Information card for entry 2203694

Structure parameters

• Common name: paracumylphenol
• Chemical name: 4-(2-phenylisopropyl)phenol
• Formula: C15 H16 O
• Calculated formula: C15 H16 O
• SMILES: Oc1ccc(cc1)C(c1ccccc1)(C)C
• Title of publication: 4-(2-Phenylisopropyl)phenol
• Authors of publication: Abdelhak, Ettahiri; Mostafa, Abboudi; Merle, Daphne; Perrin, Monique; Thozet, Alain
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: o954 - o955
• a: 30.989 ± 0.004 Å
• b: 30.989 ± 0.004 Å
• c: 6.5 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5405.8 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes