Information card for entry 2210425

Structure parameters

• Common name: 1,4-dihydroxy-2-methoxy-7-methylanthracene-9,10-dione
• Chemical name: 1,4-dihydroxy-2-methoxy-7-methylanthracene-9,10-dione
• Formula: C16 H12 O5
• Calculated formula: C16 H12 O5
• SMILES: c12c(C(=O)c3c(C1=O)cc(cc3)C)c(O)cc(OC)c2O
• Title of publication: 1,4-Dihydroxy-2-methoxy-7-methylanthracene-9,10-dione
• Authors of publication: Zhi-Gang She; Hua-Rong Huang; Yong-Cheng Lin; L. L. P. Vrijmoed; E. B. Gareth Jones
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3737 - o3738
• a: 8.637 ± 0.003 Å
• b: 7.899 ± 0.003 Å
• c: 18.622 ± 0.006 Å
• α: 90°
• β: 97.081 ± 0.006°
• γ: 90°
• Cell volume: 1260.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.091
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes