Information card for entry 2204521

Structure parameters

• Chemical name: Methyl 2-(2-{1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2- (dimethylamino)vinyloxy}phenyl)-3-(dimethylamino)acrylate
• Formula: C26 H30 N4 O6
• Calculated formula: C26 H30 N4 O6
• SMILES: O(c1c(C(=C\N(C)C)/C(=O)OC)cccc1)\C(=C/N(C)C)c1onc(n1)c1cc(OC)cc(OC)c1
• Title of publication: Methyl 2-(2-{1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(dimethylamino)vinyloxy}phenyl)-3-(dimethylamino)acrylate
• Authors of publication: Chen, Jia-Hui; Wang, Hai-Bo; Pu, Yue-Qing; Wang, Jin-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o2070 - o2072
• a: 8.65 ± 0.0017 Å
• b: 10.7 ± 0.002 Å
• c: 14.817 ± 0.003 Å
• α: 107.66 ± 0.03°
• β: 97.5 ± 0.03°
• γ: 95.15 ± 0.03°
• Cell volume: 1283.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.178
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.2113
• Weighted residual factors for all reflections included in the refinement: 0.2606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes