Information card for entry 2207186

Structure parameters

• Chemical name: 1,3-dihydroxy-2-methylanthra-9,10-quinone
• Formula: C15 H10 O4
• Calculated formula: C15 H10 O4
• SMILES: O=C1c2ccccc2C(=O)c2c1c(O)c(c(O)c2)C
• Title of publication: 1,3-Dihydroxy-2-methyl-9,10-anthraquinone
• Authors of publication: Shea-Lin Ng; Ibrahim Abdul Razak; Hoong-Kun Fun; Sompong Boonsri; Suchada Chantrapromma; Uma Prawat
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3656 - o3658
• a: 7.3517 ± 0.0001 Å
• b: 7.3268 ± 0.0001 Å
• c: 21.1186 ± 0.0004 Å
• α: 90°
• β: 97.61 ± 0.001°
• γ: 90°
• Cell volume: 1127.52 ± 0.03 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: 0.0595
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes