Information card for entry 2205466

Structure parameters

• Chemical name: Methyl 3-dimethylamino-2-(2-{2-dimethylamino-1-[3-(3-pyridyl)-1,2,4-oxadiazol- 5-yl]vinyloxy}phenyl)acrylate
• Formula: C23 H25 N5 O4
• Calculated formula: C23 H25 N5 O4
• SMILES: o1nc(nc1/C(=C/N(C)C)Oc1ccccc1/C(=C\N(C)C)C(=O)OC)c1cccnc1
• Title of publication: Methyl 3-dimethylamino-2-(2-{2-dimethylamino-1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]vinyloxy}phenyl)acrylate
• Authors of publication: Wang, Hai-Bo; Chen, Jia-Hui; Pu, Yue-Qing; Wang, Jin-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o1010 - o1012
• a: 8.625 ± 0.0017 Å
• b: 9.639 ± 0.0019 Å
• c: 26.273 ± 0.005 Å
• α: 90°
• β: 91.28 ± 0.03°
• γ: 90°
• Cell volume: 2183.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1152
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes