Information card for entry 2238762

Structure parameters

• Chemical name: 1,5-Dimethoxynaphthalene
• Formula: C12 H12 O2
• Calculated formula: C12 H12 O2
• SMILES: COc1cccc2c1cccc2OC
• Title of publication: 1,5-Dimethoxynaphthalene
• Authors of publication: Marfo-Owusu, Emmanuel; Thompson, Amber L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1655 - o1656
• a: 7.0412 ± 0.0003 Å
• b: 10.1058 ± 0.0004 Å
• c: 6.5773 ± 0.0002 Å
• α: 90°
• β: 95.509 ± 0.003°
• γ: 90°
• Cell volume: 465.86 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0361
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for all reflections: 0.0929
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0007
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No