Information card for entry 2205741

Structure parameters

• Chemical name: Methyl 3-(dimethylamino)-2-(2-{1-[3-(2-methylphenyl)-1,2,4-oxadiazol -5-yl]-2-(dimethylamino)vinyloxyl}phenyl)acrylate
• Formula: C25 H28 N4 O4
• Calculated formula: C25 H28 N4 O4
• SMILES: O(\C(=C/N(C)C)c1onc(n1)c1ccccc1C)c1ccccc1C(=C/N(C)C)\C(=O)OC
• Title of publication: Methyl 3-(dimethylamino)-2-(2-{2-(dimethylamino)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]vinyloxy}phenyl)acrylate
• Authors of publication: Pu, Yue-Qing; Wang, Hai-Bo; Chen, Jia-Hui; Wang, Jin-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1426 - o1428
• a: 10.25 ± 0.002 Å
• b: 10.691 ± 0.002 Å
• c: 12.263 ± 0.003 Å
• α: 105.46 ± 0.03°
• β: 110.74 ± 0.03°
• γ: 92.3 ± 0.03°
• Cell volume: 1197.7 ± 0.6 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: 0.1035
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1598
• Weighted residual factors for all reflections included in the refinement: 0.1929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes