Information card for entry 2018580

Structure parameters

• Common name: physcion
• Chemical name: 7-methoxy-2-methyl-4,5-dihydroxyanthracene-9,10-dione
• Formula: C16 H12 O5
• Calculated formula: C16 H12 O5
• SMILES: c1c(cc(c2c1C(=O)c1cc(cc(c1C2=O)O)OC)O)C
• Title of publication: A new polymorph of physcion
• Authors of publication: Hopf, Henning; Jones, Peter G.; Goclik, Eva; Aust, Pauline; Rödiger, Johanna
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o317 - o319
• a: 6.1986 ± 0.0003 Å
• b: 24.547 ± 0.0012 Å
• c: 8.1004 ± 0.0004 Å
• α: 90°
• β: 95.37 ± 0.004°
• γ: 90°
• Cell volume: 1227.12 ± 0.1 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0468
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes