Information card for entry 2210041

Structure parameters

• Chemical name: 1,8-dihydroxy-3-methyl-6-(oxiran-2-ylmethoxy)anthracene-9,10-dione
• Formula: C18 H14 O6
• Calculated formula: C18 H14 O6
• SMILES: Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(OCC2OC2)c1
• Title of publication: 1,8-Dihydroxy-3-methyl-6-(oxiran-2-ylmethoxy)-9,10-dihydroanthracene-9,10-dione
• Authors of publication: Wang, Xing-Po; Li, Xun; Wu, Ji-Feng; Xu, Wen-Fang; Li, Wei-Lu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o4156 - o4158
• a: 14.6082 ± 0.0005 Å
• b: 13.5438 ± 0.0006 Å
• c: 7.6388 ± 0.0003 Å
• α: 90°
• β: 99.838 ± 0.002°
• γ: 90°
• Cell volume: 1489.12 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1258
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes