Information card for entry 2226924

Structure parameters

• Chemical name: (2-Methylphenyl)(phenyl)methanol
• Formula: C14 H14 O
• Calculated formula: C14 H14 O
• SMILES: OC(c1ccccc1C)c1ccccc1
• Title of publication: (2-Methylphenyl)(phenyl)methanol
• Authors of publication: Siddaraju, B. P.; Yathirajan, H. S.; Narayana, B.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2136
• a: 23.013 ± 0.002 Å
• b: 23.013 Å
• c: 10.6067 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4864.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.057
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes