Information card for entry 2223035

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis[(<i>E</i>)-2-thienylmethylene]-4,4'-oxydianiline
• Formula: C22 H16 N2 O S2
• Calculated formula: C22 H16 N2 O S2
• SMILES: s1c(/C=N/c2ccc(Oc3ccc(/N=C/c4sccc4)cc3)cc2)ccc1
• Title of publication: <i>N</i>,<i>N</i>'-Bis[(<i>E</i>)-2-thienylmethylene]-4,4'-oxydianiline
• Authors of publication: Tao, Xuquan; Cui, Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2251
• a: 6.0897 ± 0.0007 Å
• b: 41.478 ± 0.003 Å
• c: 7.53 ± 0.0012 Å
• α: 90°
• β: 90.13 ± 0.001°
• γ: 90°
• Cell volume: 1902 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.1339
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.1995
• Weighted residual factors for all reflections included in the refinement: 0.218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes