Information card for entry 2232187

Structure parameters

• Chemical name: 1-Methoxy-4-methyl-9,10-anthraquinone
• Formula: C16 H12 O3
• Calculated formula: C16 H12 O3
• SMILES: O=C1c2ccccc2C(=O)c2c(ccc(OC)c12)C
• Title of publication: 1-Methoxy-4-methyl-9,10-anthraquinone
• Authors of publication: Osman, Che Puteh; Ahmad, Rohaya; Ismail, Nor Hadiani; Awang, Khalijah; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2973
• a: 8.8808 ± 0.0004 Å
• b: 4.894 ± 0.0002 Å
• c: 13.7792 ± 0.0005 Å
• α: 90°
• β: 96.136 ± 0.004°
• γ: 90°
• Cell volume: 595.45 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes