Information card for entry 2235594

Structure parameters

• Chemical name: (<i>Z</i>)-3-<i>o</i>-Tolyl-3-(<i>p</i>-tolyloxy)acrylonitrile
• Formula: C17 H15 N O
• Calculated formula: C17 H15 N O
• SMILES: N#C/C=C(\Oc1ccc(cc1)C)c1c(cccc1)C
• Title of publication: (<i>Z</i>)-3-<i>o</i>-Tolyl-3-(<i>p</i>-tolyloxy)acrylonitrile
• Authors of publication: Zhou, Li; Wang, Chuan-Hu; Zhou, Mi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2085
• a: 9.8731 ± 0.0006 Å
• b: 9.8731 ± 0.0006 Å
• c: 14.2455 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1388.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes