Information card for entry 2223837

Structure parameters

• Chemical name: 5,5'-Dimethoxy-2,2'-[(nonane-1,9-diyldioxy)bis(nitrilomethylidyne)]diphenol
• Formula: C25 H34 N2 O6
• Calculated formula: C25 H34 N2 O6
• SMILES: N(=C\c1c(O)cc(OC)cc1)/OCCCCCCCCCON=Cc1c(O)cc(OC)cc1
• Title of publication: 5,5'-Dimethoxy-2,2'-[(nonane-1,9-diyldioxy)bis(nitrilomethylidyne)]diphenol
• Authors of publication: Li, Li; Ma, Hong-Zheng; Gao, Su-Xia; Dong, Wen-Kui; Wu, Jian-Chao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2771
• a: 10.4701 ± 0.001 Å
• b: 11.1249 ± 0.0012 Å
• c: 12.7602 ± 0.0014 Å
• α: 65.544 ± 0.001°
• β: 86.664 ± 0.002°
• γ: 67.085 ± 0.001°
• Cell volume: 1236.7 ± 0.2 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: 0.1234
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes