Information card for entry 2225545

Structure parameters

• Chemical name: Dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate
• Formula: C10 H10 O6
• Calculated formula: C10 H10 O6
• SMILES: O(C)C(=O)c1c(O)cc(cc1O)C(=O)OC
• Title of publication: Dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate
• Authors of publication: Zhao, Deming; Wang, Kun; Zhang, Jianting; Jin, Ningren
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o981
• a: 11.6462 ± 0.0008 Å
• b: 7.0925 ± 0.0003 Å
• c: 13.5745 ± 0.001 Å
• α: 90°
• β: 114.327 ± 0.009°
• γ: 90°
• Cell volume: 1021.71 ± 0.13 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: 0.0876
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes