Information card for entry 2015902

Structure parameters

• Chemical name: Naphthalene-1,7-diol
• Formula: C10 H8 O2
• Calculated formula: C10 H8 O2
• SMILES: Oc1cccc2ccc(O)cc12
• Title of publication: Naphthalene-1,7-diol
• Authors of publication: Marciniak, Bernard
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o252 - o254
• a: 21.423 ± 0.003 Å
• b: 9.515 ± 0.001 Å
• c: 15.613 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3182.6 ± 0.7 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes