Information card for entry 2204309

Structure parameters

• Chemical name: Methyl 3-dimethylamino-2-{2-[2-(dimethylamino)-1-(3-phenyl-1,2,4-oxadiazol-5- yl)vinyloxy]phenyl}acrylate
• Formula: C24 H26 N4 O4
• Calculated formula: C24 H26 N4 O4
• SMILES: o1nc(nc1C(=C\N(C)C)\Oc1ccccc1C(=C\N(C)C)/C(=O)OC)c1ccccc1
• Title of publication: Methyl 3-dimethylamino-2-{2-[2-(dimethylamino)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)vinyloxy]phenyl}acrylate
• Authors of publication: Wang, Hai-Bo; Chen, Jia-Hui; Wang, Jin-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o1709 - o1711
• a: 11.22 ± 0.002 Å
• b: 12.26 ± 0.003 Å
• c: 17.762 ± 0.004 Å
• α: 71.06 ± 0.03°
• β: 86.35 ± 0.03°
• γ: 85.19 ± 0.03°
• Cell volume: 2301.1 ± 1 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: 0.1466
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.218
• Weighted residual factors for all reflections included in the refinement: 0.2585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes