Information card for entry 2217643

Structure parameters

• Chemical name: 2-Hydroxy-1,6,7,8-tetramethoxy-3-methylanthraquinone
• Formula: C19 H18 O7
• Calculated formula: C19 H18 O7
• SMILES: c1(c(c(c2c(c1)C(=O)c1c(C2=O)c(c(c(c1)C)O)OC)OC)OC)OC
• Title of publication: 2-Hydroxy-1,6,7,8-tetramethoxy-3-methylanthraquinone
• Authors of publication: Li-Cai Zhu; Zhen-Gang Zhao; Shu-Juan Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o371 - o371
• a: 12.296 ± 0.0003 Å
• b: 7.8545 ± 0.0002 Å
• c: 18.3361 ± 0.0005 Å
• α: 90°
• β: 106.581 ± 0.002°
• γ: 90°
• Cell volume: 1697.24 ± 0.08 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes