Information card for entry 2311653

Structure parameters

• Common name: Di-n-propyl succinate
• Formula: C10 H18 O4
• Calculated formula: C10 H18 O4
• SMILES: CCCOC(=O)CCC(=O)OCCC
• 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: 4.3722 ± 0.0017 Å
• b: 7.829 ± 0.003 Å
• c: 8.718 ± 0.004 Å
• α: 113.011 ± 0.006°
• β: 90.935 ± 0.006°
• γ: 97.047 ± 0.006°
• Cell volume: 271.92 ± 0.19 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No