Information card for entry 2223098

Structure parameters

• Common name: trans-1,2-Bis-(4-acetoxyphenyl)ethene
• Chemical name: <i>trans</i>-Ethylenedi-<i>p</i>-phenylene diacetate
• Formula: C18 H16 O4
• Calculated formula: C18 H16 O4
• SMILES: CC(=O)Oc1ccc(cc1)/C=C/c1ccc(cc1)OC(=O)C
• Title of publication: <i>trans</i>-Ethylenedi-<i>p</i>-phenylene diacetate
• Authors of publication: Ritter, Stefanie; Neudörfl, Jörg-M.; Velder, Janna; Schmalz, Hans-Günther
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2229
• a: 9.743 ± 0.0004 Å
• b: 7.2839 ± 0.0004 Å
• c: 11.2723 ± 0.0006 Å
• α: 90°
• β: 113.649 ± 0.003°
• γ: 90°
• Cell volume: 732.78 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0686
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes