Information card for entry 2209822

Structure parameters

• Chemical name: Methyl 2-(2-{1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2- (dimethylamino)vinyloxy}phenyl)-3-(dimethylamino)acrylate
• Formula: C24 H25 Br N4 O4
• Calculated formula: C24 H25 Br N4 O4
• SMILES: Brc1ccc(c2noc(n2)C(=C/N(C)C)/Oc2ccccc2C(=C/N(C)C)\C(=O)OC)cc1
• Title of publication: Methyl 2-(2-{1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-(dimethylamino)vinyloxy}phenyl)-3-(dimethylamino)acrylate
• Authors of publication: Liu, Zhi-Qian; Liu, Zhi-Qian; Yan, Xiao-Chen; Wang, Hai-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3467 - o3468
• a: 15.479 ± 0.003 Å
• b: 8.569 ± 0.0017 Å
• c: 17.919 ± 0.004 Å
• α: 90°
• β: 98.37 ± 0.03°
• γ: 90°
• Cell volume: 2351.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1888
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes