Information card for entry 2222109

Structure parameters

• Chemical name: 4,4'-Dimethyl-1,1'-[ethylenedioxybis(nitrilomethylidyne)]dibenzene
• Formula: C18 H20 N2 O2
• Calculated formula: C18 H20 N2 O2
• SMILES: Cc1ccc(cc1)/C=N/OCCO/N=C/c1ccc(cc1)C
• Title of publication: 4,4'-Dimethyl-1,1'-[ethylenedioxybis(nitrilomethylidyne)]dibenzene
• Authors of publication: Ding, Yu-Jie; Xue, Zhu-Lian; Dong, Wen-Kui; Sun, Yin-Xia; Wu, Jian-Chao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1193
• a: 13.6946 ± 0.0012 Å
• b: 4.8196 ± 0.0009 Å
• c: 12.1644 ± 0.0011 Å
• α: 90°
• β: 104.936 ± 0.001°
• γ: 90°
• Cell volume: 775.75 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0682
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes