Information card for entry 2233948

Structure parameters

• Chemical name: (<i>Z</i>)-3-(1<i>H</i>-Indol-3-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile
• Formula: C20 H18 N2 O3
• Calculated formula: C20 H18 N2 O3
• SMILES: [nH]1cc(c2ccccc12)/C=C(c1cc(OC)c(OC)c(OC)c1)\C#N
• Title of publication: (<i>Z</i>)-3-(1<i>H</i>-Indol-3-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile
• Authors of publication: Penthala, Narsimha Reddy; Parkin, Sean; Crooks, Peter A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o729
• a: 11.3384 ± 0.0004 Å
• b: 21.1383 ± 0.0008 Å
• c: 6.957 ± 0.0003 Å
• α: 90°
• β: 93.61 ± 0.002°
• γ: 90°
• Cell volume: 1664.11 ± 0.11 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 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: 0.0412
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes