Information card for entry 2311651

Structure parameters

• Common name: Dimethyl succinate
• Formula: C6 H10 O4
• Calculated formula: C6 H10 O4
• SMILES: C(C(=O)OC)CC(=O)OC
• Title of publication: Succinate esters: odd-even effects in melting points.
• Authors of publication: Joseph, Sumy; Sathishkumar, Ranganathan
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2014
• Journal volume: 70
• Journal issue: Pt 5
• Pages of publication: 839 - 846
• a: 12.555 ± 0.007 Å
• b: 6.16 ± 0.003 Å
• c: 14.163 ± 0.006 Å
• α: 90°
• β: 139.71 ± 0.03°
• γ: 90°
• Cell volume: 708.3 ± 0.7 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No