Information card for entry 2311517

Structure parameters

• Chemical name: 1-Acetyloxy-4-propyloxy-9,10-anthraquinone
• Formula: C19 H16 O5
• Calculated formula: C19 H16 O5
• SMILES: O(c1ccc(OCCC)c2C(=O)c3ccccc3C(=O)c12)C(=O)C
• Title of publication: Crystal structures of 1-hy-droxy-4-prop-yloxy-9,10-anthra-quinone and its acetyl derivative.
• Authors of publication: Nakagawa, Hidemi; Kitamura, Chitoshi
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 12
• Pages of publication: 1845 - 1849
• a: 11.773 ± 0.0012 Å
• b: 15.514 ± 0.002 Å
• c: 8.9609 ± 0.001 Å
• α: 90°
• β: 111.153 ± 0.008°
• γ: 90°
• Cell volume: 1526.4 ± 0.3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.1579
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1803
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No