Information card for entry 2211706

Structure parameters

• Chemical name: 6,6'-Dimethoxy-2,2'-(hexane-1,6-diyldinitrilodimethylidyne)diphenol
• Formula: C22 H28 N2 O4
• Calculated formula: C22 H28 N2 O4
• SMILES: COc1cccc(c1O)/C=N/CCCCCC/N=C/c1cccc(c1O)OC
• Title of publication: 6,6'-Dimethoxy-2,2'-(hexane-1,6-diyldinitrilodimethylidyne)diphenol
• Authors of publication: Xia, H.-T.; Liu, Y.-F.; Wang, D.-Q.; Yang, S.-P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o259 - o261
• a: 21.834 ± 0.011 Å
• b: 8.42 ± 0.004 Å
• c: 11.203 ± 0.006 Å
• α: 90°
• β: 91.778 ± 0.009°
• γ: 90°
• Cell volume: 2058.6 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2259
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1789
• Weighted residual factors for all reflections included in the refinement: 0.2766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes