Information card for entry 2311656

Structure parameters

• Common name: Dibenzyl succinate
• Formula: C18 H18 O4
• Calculated formula: C18 H18 O4
• SMILES: c1(ccccc1)COC(=O)CCC(=O)OCc1ccccc1
• 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: 10.219 ± 0.003 Å
• b: 8.26 ± 0.003 Å
• c: 17.923 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1512.9 ± 0.8 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1316
• 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