Information card for entry 2233971

Structure parameters

• Chemical name: Dimethyl 4,5-dichlorobenzene-1,2-dicarboxylate
• Formula: C10 H8 Cl2 O4
• Calculated formula: C10 H8 Cl2 O4
• SMILES: Clc1cc(C(=O)OC)c(C(=O)OC)cc1Cl
• Title of publication: Dimethyl 4,5-dichlorobenzene-1,2-dicarboxylate
• Authors of publication: Sun, Yongling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o834
• a: 7.1906 ± 0.0014 Å
• b: 7.841 ± 0.0017 Å
• c: 10.6205 ± 0.0015 Å
• α: 97.779 ± 0.015°
• β: 109.04 ± 0.015°
• γ: 91.864 ± 0.018°
• Cell volume: 558.95 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes