Information card for entry 2230189

Structure parameters

• Chemical name: 3-Acetyl-5-hydroxy-2-methylanthra[1,2-<i>b</i>]furan-6,11-dione
• Formula: C19 H12 O5
• Calculated formula: C19 H12 O5
• SMILES: Oc1cc2c(C(=O)C)c(oc2c2c1C(=O)c1ccccc1C2=O)C
• Title of publication: 3-Acetyl-5-hydroxy-2-methylanthra[1,2-<i>b</i>]furan-6,11-dione
• Authors of publication: Ahmad, Rohaya; Jeinie, Mohamad Faiz; Ismail, Nor Hadiani; Hazni, Hazrina; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1144
• a: 12.5739 ± 0.0009 Å
• b: 22.0375 ± 0.0012 Å
• c: 10.7453 ± 0.0008 Å
• α: 90°
• β: 110.342 ± 0.008°
• γ: 90°
• Cell volume: 2791.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1632
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes