Information card for entry 2222220

Structure parameters

• Chemical name: 2-Hydroxy-1-methoxyanthraquinone monohydrate
• Formula: C15 H12 O5
• Calculated formula: C15 H12 O5
• SMILES: c1(c(c2C(=O)c3ccccc3C(=O)c2cc1)OC)O.O
• Title of publication: 2-Hydroxy-1-methoxyanthraquinone monohydrate
• Authors of publication: Liu, Zhi-Meng; Jiao, Yuan-Qi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1523
• a: 7.9583 ± 0.0019 Å
• b: 8.269 ± 0.002 Å
• c: 10.188 ± 0.002 Å
• α: 102.462 ± 0.003°
• β: 102.364 ± 0.003°
• γ: 100.653 ± 0.003°
• Cell volume: 620.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0665
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes