Information card for entry 2218719

Structure parameters

• Chemical name: 6,6'-Dimethoxy-2,2'-[(hexane-1,6-diyldioxy)bis(nitrilomethylidyne)]diphenol
• Formula: C22 H28 N2 O6
• Calculated formula: C22 H28 N2 O6
• SMILES: N(OCCCCCCON=Cc1c(O)c(OC)ccc1)=Cc1c(O)c(OC)ccc1
• Title of publication: 6,6'-Dimethoxy-2,2'-[(hexane-1,6-diyldioxy)bis(nitrilomethylidyne)]diphenol
• Authors of publication: Dong, Wen-Kui; Zhao, Chun-Yu; Zhong, Jin-Kui; Tang, Xiao-Lu; Yu, Tian-Zhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1323
• a: 6.2913 ± 0.0009 Å
• b: 29.063 ± 0.003 Å
• c: 12.0481 ± 0.0015 Å
• α: 90°
• β: 100.063 ± 0.002°
• γ: 90°
• Cell volume: 2169 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.1013
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes