Information card for entry 2222163

Structure parameters

• Chemical name: 1-Hydroxy-2-methoxy-6-methyl-9,10-anthraquinone
• Formula: C16 H12 O4
• Calculated formula: C16 H12 O4
• SMILES: COc1ccc2c(c1O)C(=O)c1c(C2=O)cc(cc1)C
• Title of publication: 1-Hydroxy-2-methoxy-6-methyl-9,10-anthraquinone from <i>Rennellia elliptica</i> Korth.
• Authors of publication: Ismail, Nor Hadiani; Osman, Che Puteh; Ahmad, Rohaya; Awang, Khalijah; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1435
• a: 7.1755 ± 0.0003 Å
• b: 11.9082 ± 0.0005 Å
• c: 14.9683 ± 0.0007 Å
• α: 91.409 ± 0.003°
• β: 100.603 ± 0.003°
• γ: 105.666 ± 0.003°
• Cell volume: 1206.73 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.146
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.233
• Weighted residual factors for all reflections included in the refinement: 0.267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes