Information card for entry 2201841

Structure parameters

• Common name: 2-naphthol
• Formula: C10 H8 O
• Calculated formula: C10 H8 O
• SMILES: Oc1cc2ccccc2cc1
• Title of publication: 2-Naphthalenol
• Authors of publication: Marciniak, Bernard; Rozycka-Sokolowska, Ewa; Pavlyuk, Volodymyr
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: o52 - o53
• a: 32.074 ± 0.006 Å
• b: 5.931 ± 0.001 Å
• c: 8.127 ± 0.002 Å
• α: 90°
• β: 101.18 ± 0.03°
• γ: 90°
• Cell volume: 1516.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0555
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.303
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No