Information card for entry 2207007

Structure parameters

• Chemical name: 1-Chloro-4-hydroxyanthraquinone
• Formula: C14 H7 Cl O3
• Calculated formula: C14 H7 Cl O3
• SMILES: Clc1ccc(O)c2c1C(=O)c1ccccc1C2=O
• Title of publication: 1-Chloro-4-hydroxyanthraquinone
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3230 - o3231
• a: 7.418 ± 0.0007 Å
• b: 10.2724 ± 0.0009 Å
• c: 14.262 ± 0.001 Å
• α: 90°
• β: 90.588 ± 0.002°
• γ: 90°
• Cell volume: 1086.72 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.112
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.164
• Weighted residual factors for all reflections included in the refinement: 0.2
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes