Information card for entry 2222996

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(2,3-dimethoxybenzylidene)propane-1,3-diamine
• Formula: C21 H26 N2 O4
• Calculated formula: C21 H26 N2 O4
• SMILES: O(c1c(cccc1OC)/C=N/CCC/N=C/c1c(OC)c(OC)ccc1)C
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2,3-dimethoxybenzylidene)propane-1,3-diamine
• Authors of publication: Fejfarová, Karla; Dehno Khalaji, Aliakbar; Dušek, Michal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2288
• a: 15.3079 ± 0.0003 Å
• b: 9.2915 ± 0.0002 Å
• c: 13.8059 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1963.66 ± 0.07 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.97
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes