Information card for entry 2226193

Structure parameters

• Chemical name: (<i>N</i>^1^<i>E</i>,<i>N</i>^2^<i>E</i>)-<i>N</i>^1^,<i>N</i>^2^-Bis(4- hexyloxy-3-methoxybenzylidene)ethane-1,2-diamine
• Formula: C30 H44 N2 O4
• Calculated formula: C30 H44 N2 O4
• SMILES: CCCCCCOc1ccc(cc1OC)/C=N/CC/N=C/c1ccc(c(c1)OC)OCCCCCC
• Title of publication: (<i>N</i>^1^<i>E</i>,<i>N</i>^2^<i>E</i>)-<i>N</i>^1^,<i>N</i>^2^-Bis(4-hexyloxy-3-methoxybenzylidene)ethane-1,2-diamine
• Authors of publication: Paul, Anju; Punnoose, Sherin Susan; Mary, N. L.; Narasimhaswamy, T.; Ramkumar, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1377
• a: 5.3025 ± 0.0006 Å
• b: 10.3777 ± 0.0014 Å
• c: 13.0463 ± 0.0017 Å
• α: 84.667 ± 0.006°
• β: 84.659 ± 0.006°
• γ: 89.045 ± 0.006°
• Cell volume: 711.67 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes