Information card for entry 2233148

Structure parameters

• Chemical name: 3-[(<i>E</i>)-2-Phenylethenyl]-1<i>H</i>-indole-6-carbonitrile
• Formula: C17 H12 N2
• Calculated formula: C17 H12 N2
• SMILES: [nH]1cc(c2ccc(cc12)C#N)/C=C/c1ccccc1
• Title of publication: 3-[(<i>E</i>)-2-Phenylethenyl]-1<i>H</i>-indole-6-carbonitrile
• Authors of publication: Ge, Yu-Hua; Wu, Dong-En; Luo, Yang-Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o207
• a: 9.689 ± 0.008 Å
• b: 7.44 ± 0.006 Å
• c: 35.53 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2561 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes