Information card for entry 2019404

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>-(3,4,5-trimethoxybenzylidene)naphthalen-1-amine
• Formula: C20 H19 N O3
• Calculated formula: C20 H19 N O3
• SMILES: COc1cc(/C=N/c2cccc3c2cccc3)cc(c1OC)OC
• Title of publication: Comparison of <i>N</i>-(3,4,5-trimethoxybenzylidene)naphthalen-1-amine and its reduction product <i>N</i>-(3,4,5-trimethoxybenzyl)naphthalen-1-amine
• Authors of publication: Garay, Alexander; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: 210 - 215
• a: 8.9697 ± 0.0011 Å
• b: 9.33 ± 0.0009 Å
• c: 19.9254 ± 0.0012 Å
• α: 90°
• β: 93.846 ± 0.008°
• γ: 90°
• Cell volume: 1663.7 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1286
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No