Information card for entry 2202631

Structure parameters

• Formula: C20 H20 O4
• Calculated formula: C20 H20 O4
• SMILES: O=C(c1ccccc1)OCC/C=C/CCOC(=O)c1ccccc1
• Title of publication: (<i>E</i>)-3-Hexene-1,6-diyl dibenzoate
• Authors of publication: Clark, J. Caleb; Talele, Tanaji; McLaughlin, Mark L.; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o962 - o963
• a: 6.829 ± 0.003 Å
• b: 7.508 ± 0.002 Å
• c: 9.46 ± 0.004 Å
• α: 67.424 ± 0.017°
• β: 81.663 ± 0.015°
• γ: 71.322 ± 0.016°
• Cell volume: 424.1 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.056
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes