Information card for entry 2224860

Structure parameters

• Chemical name: 2-[2-(Hydroxymethyl)phenyl]-1-(1-naphthyl)ethanol
• Formula: C19 H18 O2
• Calculated formula: C19 H18 O2
• SMILES: OC(c1cccc2ccccc12)Cc1ccccc1CO
• Title of publication: 2-[2-(Hydroxymethyl)phenyl]-1-(1-naphthyl)ethanol
• Authors of publication: Khan, F. Nawaz; Manivel, P.; Hathwar, Venkatesha R.; Krishnakumar, V.; Tyagi, Richa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o380
• a: 16.207 ± 0.004 Å
• b: 12.82 ± 0.003 Å
• c: 7.7888 ± 0.0018 Å
• α: 90°
• β: 111.172 ± 0.003°
• γ: 90°
• Cell volume: 1509.1 ± 0.6 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes