Information card for entry 2216124

Structure parameters

• Chemical name: N,N'-Bis[4-(dimethylamino)benzylidene]butane-1,4-diamine
• Formula: C22 H30 N4
• Calculated formula: C22 H30 N4
• SMILES: CN(c1ccc(cc1)/C=N/CCCC/N=C/c1ccc(cc1)N(C)C)C
• Title of publication: <i>N</i>,<i>N</i>'-Bis[4-(dimethylamino)benzylidene]butane-1,4-diamine
• Authors of publication: Mohammad Hossein Habibi; Mahmoud Zendehdel; Suchada Chantrapromma; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4330 - o4330
• a: 5.2254 ± 0.0001 Å
• b: 9.5742 ± 0.0003 Å
• c: 19.4882 ± 0.0005 Å
• α: 90°
• β: 95.512 ± 0.001°
• γ: 90°
• Cell volume: 970.47 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0592
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes