Information card for entry 2220910

Structure parameters

• Chemical name: 2-[2-(Hydroxymethyl)phenyl]-1-phenylethanol
• Formula: C15 H16 O2
• Calculated formula: C15 H16 O2
• SMILES: OC(c1ccccc1)Cc1ccccc1CO
• Title of publication: 2-[2-(Hydroxymethyl)phenyl]-1-phenylethanol
• Authors of publication: Manivel, P.; Hathwar, Venkatesha R.; Mohanaroopan, S.; Prabakaran, K.; Khan, F. Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o406
• a: 8.55 ± 0.001 Å
• b: 15.8676 ± 0.0018 Å
• c: 18.593 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2522.5 ± 0.5 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes