Information card for entry 2216282

Structure parameters

• Chemical name: 4-Methoxy-N-(3-phenylallylidene)aniline
• Formula: C16 H15 N O
• Calculated formula: C16 H15 N O
• SMILES: c1cc(ccc1/N=C/C=C/c1ccccc1)OC
• Title of publication: 4-Methoxy-<i>N</i>-(3-phenylallylidene)aniline
• Authors of publication: Ying Li; Xiao-Lian He; Xiao-Yan Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4546 - o4546
• a: 7.217 ± 0.0009 Å
• b: 6.3101 ± 0.0008 Å
• c: 57.061 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2598.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0587
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes