Information card for entry 2201949

Structure parameters

• Chemical name: 3-(4-Methoxyphenyl)-4-(4-phenyl-1,3-butadienoyl)sydnone
• Formula: C20 H16 N2 O4
• Calculated formula: C20 H16 N2 O4
• SMILES: O1N=N(=C(C1=O)C(=O)/C=C\C=C/c1ccccc1)c1ccc(OC)cc1
• Title of publication: 3-(4-Methoxyphenyl)-4-(5-phenyl-2,4-pentadienoyl)sydnone
• Authors of publication: Thamotharan, S.; Parthasarathi, V.; Sanyal, R.; Badami, Bharati; Linden, Anthony
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o894 - o896
• a: 12.0961 ± 0.0008 Å
• b: 4.775 ± 0.0004 Å
• c: 15.3516 ± 0.0012 Å
• α: 90°
• β: 97.719 ± 0.003°
• γ: 90°
• Cell volume: 878.66 ± 0.12 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes