Information card for entry 1520464

Structure parameters

• Formula: C17 H14 O
• Calculated formula: C17 H14 O
• SMILES: c1(cccc2cccc(c12)c1ccc(cc1)C)O
• Title of publication: 8-(p-tolyl)naphthalen-1-ol
• Authors of publication: Cadman, Christopher J.; Coles, Simon J.; Croft, Anna K.; Frey, Jeremy G.; Tizzard, Graham J.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2010
• Pages of publication: 1343
• a: 13.3991 ± 0.0005 Å
• b: 8.2341 ± 0.0003 Å
• c: 22.8014 ± 0.0008 Å
• α: 90°
• β: 96.356 ± 0.002°
• γ: 90°
• Cell volume: 2500.2 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No