Information card for entry 2019405

Structure parameters

• Chemical name: <i>N</i>-(3,4,5-trimethoxybenzyl)naphthalen-1-amine
• Formula: C20 H21 N O3
• Calculated formula: C20 H21 N O3
• SMILES: COc1cc(CNc2cccc3c2cccc3)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: 9.446 ± 0.0017 Å
• b: 11.0868 ± 0.0018 Å
• c: 15.8195 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1656.7 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes