Information card for entry 2221624

Structure parameters

• Chemical name: 2-Methoxynaphthalene-1-carbaldehyde
• Formula: C12 H10 O2
• Calculated formula: C12 H10 O2
• SMILES: O=Cc1c(OC)ccc2ccccc12
• Title of publication: 2-Methoxynaphthalene-1-carbaldehyde
• Authors of publication: Tang, Chunbao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1088
• a: 8.689 ± 0.003 Å
• b: 14.155 ± 0.004 Å
• c: 7.667 ± 0.002 Å
• α: 90°
• β: 94.805 ± 0.004°
• γ: 90°
• Cell volume: 939.7 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0621
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes