Information card for entry 2221431

Structure parameters

• Chemical name: (<i>E</i>,<i>E</i>)-2-[3,4-Bis(4-methylbenzylidene)-5-oxotetrahydrofuran- 2-ylidene]propanedinitrile
• Formula: C23 H16 N2 O2
• Calculated formula: C23 H16 N2 O2
• SMILES: O1C(=O)C(=C\c2ccc(cc2)C)\C(=C/c2ccc(cc2)C)\C1=C(C#N)C#N
• Title of publication: (<i>E</i>,<i>E</i>)-2-[3,4-Bis(4-methylbenzylidene)-5-oxotetrahydrofuran-2-ylidene]propanedinitrile
• Authors of publication: Asiri, Abdullah Mohamed; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o761
• a: 6.7908 ± 0.0002 Å
• b: 22.0814 ± 0.0005 Å
• c: 11.8626 ± 0.0003 Å
• α: 90°
• β: 96.877 ± 0.002°
• γ: 90°
• Cell volume: 1766 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes