Information card for entry 2211478

Structure parameters

• Chemical name: 6,6'-Dimethoxy-2,2'-(ethane-1,2-diyldiiminodimethylene)diphenol
• Formula: C18 H24 N2 O4
• Calculated formula: C18 H24 N2 O4
• SMILES: COc1cccc(c1O)CNCCNCc1cccc(c1O)OC
• Title of publication: 6,6'-Dimethoxy-2,2'-(ethane-1,2-diyldiiminodimethylene)diphenol
• Authors of publication: Xia, Hai-Tao; Liu, Yun-Fen; Yang, Shu-Ping; Wang, Da-Qi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5864 - o5865
• a: 9.431 ± 0.003 Å
• b: 10.512 ± 0.004 Å
• c: 17.414 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1726.4 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes