Information card for entry 2311655

Structure parameters

• Common name: Diallyl succinate
• Formula: C10 H14 O4
• Calculated formula: C10 H14 O4
• SMILES: C(OC(=O)CCC(=O)OCC=C)C=C
• 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: 8.808 ± 0.005 Å
• b: 8.553 ± 0.004 Å
• c: 6.86 ± 0.004 Å
• α: 90°
• β: 97.58 ± 0.008°
• γ: 90°
• Cell volume: 512.3 ± 0.5 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0537
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No