Information card for entry 2212456

Structure parameters

• Chemical name: (E,E)-N,N'-bis(4-methoxybenzylidene)hexane-1,6-diamine
• Formula: C22 H28 N2 O2
• Calculated formula: C22 H28 N2 O2
• SMILES: c1(ccc(OC)cc1)/C=N/CCCCCC/N=C/c1ccc(OC)cc1
• Title of publication: (<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-Bis(4-methoxybenzylidene)hexane-1,6-diamine
• Authors of publication: Li, Jian; Liang, Zu-Pei; Wu, Qian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1086 - o1087
• a: 8.018 ± 0.004 Å
• b: 8.34 ± 0.004 Å
• c: 15.486 ± 0.008 Å
• α: 90°
• β: 96.831 ± 0.009°
• γ: 90°
• Cell volume: 1028.2 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes