Information card for entry 2221009

Structure parameters

• Chemical name: Bis[4-(2-benzylidenepropylideneamino)phenyl] ether
• Formula: C32 H28 N2 O
• Calculated formula: C32 H28 N2 O
• SMILES: O(c1ccc(/N=C/C(=C/c2ccccc2)C)cc1)c1ccc(/N=C/C(=C/c2ccccc2)C)cc1
• Title of publication: Bis[4-(2-benzylidenepropylideneamino)phenyl] ether
• Authors of publication: Movahedi, Mansoor; Hadadzadeh, Hassan; Fejfarova, Karla; Dusek, Michal; Dehno Khalaji, Aliakbar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o538
• a: 7.4737 ± 0.0003 Å
• b: 55.929 ± 0.003 Å
• c: 6.0275 ± 0.0003 Å
• α: 90°
• β: 90.022 ± 0.004°
• γ: 90°
• Cell volume: 2519.5 ± 0.2 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 2.32
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes