Information card for entry 2224176

Structure parameters

• Chemical name: 3,5-Dimethoxy-<i>N</i>,<i>N</i>-bis(2-pyridylmethyl)aniline
• Formula: C20 H21 N3 O2
• Calculated formula: C20 H21 N3 O2
• SMILES: O(c1cc(OC)cc(N(Cc2ncccc2)Cc2ncccc2)c1)C
• Title of publication: 3,5-Dimethoxy-<i>N</i>,<i>N</i>-bis(2-pyridylmethyl)aniline
• Authors of publication: Li, Hongjuan; Dai, Xianping; Sun, Jufeng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3139
• a: 15.63 ± 0.003 Å
• b: 5.9562 ± 0.0012 Å
• c: 20.088 ± 0.004 Å
• α: 90°
• β: 111.55 ± 0.03°
• γ: 90°
• Cell volume: 1739.4 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0522
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes