Information card for entry 2008029

Structure parameters

• Chemical name: 2-Methoxynaphthalene
• Formula: C11 H10 O
• Calculated formula: C11 H10 O
• SMILES: c1c(OC)ccc2ccccc12
• Title of publication: 2-Methoxynaphthalene at 173K
• Authors of publication: Bolte, Michael; Bauch, Christian
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1862 - 1863
• a: 17.104 ± 0.001 Å
• b: 6.012 ± 0.001 Å
• c: 8.11 ± 0.001 Å
• α: 90°
• β: 95.46 ± 0.01°
• γ: 90°
• Cell volume: 830.16 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.046
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes