Information card for entry 2221244

Structure parameters

• Chemical name: 6,6'-Diethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenol
• Formula: C23 H30 N2 O4
• Calculated formula: C23 H30 N2 O4
• SMILES: CCOc1cccc(c1O)/C=N/CC(C/N=C/c1cccc(c1O)OCC)(C)C
• Title of publication: 6,6'-Diethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenol
• Authors of publication: Fun, Hoong-Kun; Kargar, Hadi; Kia, Reza; Jamshidvand, Arezoo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o707 - o708
• a: 5.6523 ± 0.0001 Å
• b: 12.9591 ± 0.0002 Å
• c: 28.3771 ± 0.0003 Å
• α: 90°
• β: 91.282 ± 0.001°
• γ: 90°
• Cell volume: 2078.07 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes