Information card for entry 2209723

Structure parameters

• Chemical name: (Z)-3-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)acrylonitrile
• Formula: C18 H17 N O3
• Calculated formula: C18 H17 N O3
• SMILES: O(c1ccc(cc1)C(=C/c1ccc(OC)c(OC)c1)/C#N)C
• Title of publication: (<i>Z</i>)-3-(3,4-Dimethoxyphenyl)-2-(4-methoxyphenyl)acrylonitrile
• Authors of publication: Naveen, S; Kavitha, C. V.; Rangappa, K. S.; Sridhar, M. A.; Shashidhara Prasad, J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3239 - o3241
• a: 14.83 ± 0.009 Å
• b: 13.688 ± 0.007 Å
• c: 7.445 ± 0.016 Å
• α: 90°
• β: 91.724 ± 0.002°
• γ: 90°
• Cell volume: 1511 ± 3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.0675
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes