Information card for entry 2229524

Structure parameters

• Chemical name: 4,4'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenol
• Formula: C21 H26 N2 O4
• Calculated formula: C21 H26 N2 O4
• SMILES: Oc1ccc(OC)cc1/C=N/CC(C/N=C/c1c(O)ccc(OC)c1)(C)C
• Title of publication: 4,4'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenol
• Authors of publication: Kargar, Hadi; Kia, Reza; Pahlavani, Elham; Tahir, Muhammad Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o614
• a: 10.66 ± 0.002 Å
• b: 21.742 ± 0.004 Å
• c: 9.2767 ± 0.0019 Å
• α: 90°
• β: 108.03 ± 0.03°
• γ: 90°
• Cell volume: 2044.5 ± 0.8 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.156
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 0.565
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes