Information card for entry 2225660

Structure parameters

• Chemical name: 5,5'-Dimethoxy-2,2'-[4,5-dimethyl-<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenol
• Formula: C24 H24 N2 O4
• Calculated formula: C24 H24 N2 O4
• SMILES: Oc1cc(OC)ccc1/C=N/c1cc(c(cc1/N=C/c1ccc(OC)cc1O)C)C
• Title of publication: 5,5'-Dimethoxy-2,2'-[4,5-dimethyl-<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenol
• Authors of publication: Kargar, Hadi; Kia, Reza; Khan, Islam Ullah; Sahraei, Atefeh; Aberoomand Azar, Parviz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o728
• a: 6.672 ± 0.0003 Å
• b: 14.3192 ± 0.0006 Å
• c: 21.7396 ± 0.0009 Å
• α: 90°
• β: 95.177 ± 0.002°
• γ: 90°
• Cell volume: 2068.48 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0895
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes