Information card for entry 2221133

Structure parameters

• Chemical name: (<i>E</i>)-4-Methyl-<i>N</i>-(2,3,4-trimethoxy-6-methylbenzylidene)aniline
• Formula: C18 H21 N O3
• Calculated formula: C18 H21 N O3
• SMILES: N(=C\c1c(OC)c(OC)c(OC)cc1C)/c1ccc(cc1)C
• Title of publication: (<i>E</i>)-4-Methyl-<i>N</i>-(2,3,4-trimethoxy-6-methylbenzylidene)aniline
• Authors of publication: Wang, Cheng-Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o493
• a: 7.7239 ± 0.0009 Å
• b: 27.287 ± 0.002 Å
• c: 8.4128 ± 0.0011 Å
• α: 90°
• β: 111.529 ± 0.002°
• γ: 90°
• Cell volume: 1649.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1195
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes