Information card for entry 2210416

Structure parameters

• Chemical name: (Z)-2-(4-methoxyphenyl)-3-phenylacrylonitrile
• Formula: C16 H13 N O
• Calculated formula: C16 H13 N O
• SMILES: O(c1ccc(cc1)/C(=C/c1ccccc1)C#N)C
• Title of publication: (<i>Z</i>)-2-(4-Methoxyphenyl)-3-phenylacrylonitrile
• Authors of publication: Sarala, G.; 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: 9
• Pages of publication: o3998 - o4000
• a: 7.362 ± 0.009 Å
• b: 11.859 ± 0.012 Å
• c: 14.481 ± 0.013 Å
• α: 89.658 ± 0.006°
• β: 82.467 ± 0.006°
• γ: 89.604 ± 0.005°
• Cell volume: 1253 ± 2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes