Information card for entry 2014340

Structure parameters

• Common name: 1,3-dihydroxynaphthalene
• Chemical name: Naphthalene-1,3-diol
• Formula: C10 H8 O2
• Calculated formula: C10 H8 O2
• SMILES: c1(cc(cc2ccccc12)O)O
• Title of publication: Naphthalene-1,3-diol
• Authors of publication: Marciniak, Bernard; Rozycka-Sokolowska, Ewa; Pavlyuk, Volodymyr
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o68 - o70
• a: 9.0606 ± 0.0018 Å
• b: 7.2027 ± 0.0014 Å
• c: 13.309 ± 0.003 Å
• α: 90°
• β: 119.96 ± 0.03°
• γ: 90°
• Cell volume: 752.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes