Information card for entry 2211106

Structure parameters

• Chemical name: N-benzyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylidene]amine
• Formula: C17 H19 N O3
• Calculated formula: C17 H19 N O3
• SMILES: N(=C\c1cc(OC)c(OC)c(OC)c1)/Cc1ccccc1
• Title of publication: <i>N</i>-Benzyl-<i>N</i>-[(<i>E</i>)-(3,4,5-trimethoxyphenyl)methylidene]amine
• Authors of publication: Santacruz, Lynay; Abonia, Rodrigo; Low, John Nicolson; Cobo, Justo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5027 - o5028
• a: 22.1302 ± 0.001 Å
• b: 5.314 ± 0.0002 Å
• c: 12.4571 ± 0.0005 Å
• α: 90°
• β: 98.447 ± 0.002°
• γ: 90°
• Cell volume: 1449.06 ± 0.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes