Information card for entry 2222581

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(3,4-dimethoxybenzylidene)butane-1,4-diamine
• Formula: C22 H28 N2 O4
• Calculated formula: C22 H28 N2 O4
• SMILES: COc1cc(/C=N/CCCC/N=C/c2ccc(c(c2)OC)OC)ccc1OC
• Title of publication: <i>N</i>,<i>N</i>'-Bis(3,4-dimethoxybenzylidene)butane-1,4-diamine
• Authors of publication: Dehno Khalaji, Aliakbar; Fejfarova, Karla; Dusek, Michal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1773
• a: 14.577 ± 0.0004 Å
• b: 7.6201 ± 0.0002 Å
• c: 9.4456 ± 0.0003 Å
• α: 90°
• β: 101.725 ± 0.002°
• γ: 90°
• Cell volume: 1027.31 ± 0.05 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0437
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.67
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes