Information card for entry 2211848

Structure parameters

• Chemical name: 6,6'-Dimethoxy-2,2'-(propane-1,3-diyldiiminodimethylene)diphenol
• Formula: C19 H26 N2 O4
• Calculated formula: C19 H26 N2 O4
• SMILES: N(Cc1cccc(OC)c1O)CCCNCc1c(O)c(OC)ccc1
• Title of publication: 6,6'-Dimethoxy-2,2'-(propane-1,3-diyldiiminodimethylene)diphenol
• Authors of publication: Xia, H.-T.; Liu, Y.-F.; Yang, S.-P.; Wang, D.-Q.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o239 - o240
• a: 9.278 ± 0.003 Å
• b: 10.013 ± 0.004 Å
• c: 10.816 ± 0.004 Å
• α: 92.144 ± 0.004°
• β: 98.55 ± 0.004°
• γ: 109.215 ± 0.004°
• Cell volume: 934.3 ± 0.6 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: 0.0901
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes