Information card for entry 2229428

Structure parameters

• Chemical name: 3,3'-Dimethoxy-2,2'-[(4,5-dimethyl-<i>o</i>-phenylene)bis(nitrilomethanylylidene)]diphenol
• Formula: C24 H24 N2 O4
• Calculated formula: C24 H24 N2 O4
• SMILES: COc1cccc(c1/C=N/c1cc(C)c(cc1/N=C/c1c(O)cccc1OC)C)O
• Title of publication: 3,3'-Dimethoxy-2,2'-[(4,5-dimethyl-<i>o</i>-phenylene)bis(nitrilomethanylylidene)]diphenol
• Authors of publication: Sahraei, Atefeh; Kargar, Hadi; Kia, Reza; Khan, Islam Ullah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o636
• a: 8.0311 ± 0.0002 Å
• b: 12.5836 ± 0.0003 Å
• c: 20.6174 ± 0.0005 Å
• α: 86.9 ± 0.001°
• β: 82.549 ± 0.001°
• γ: 81.806 ± 0.001°
• Cell volume: 2043.57 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1062
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes