Information card for entry 2205747

Structure parameters

• Chemical name: 2-Methoxy-4-[2-methyl-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene)methyl]phenyl acetate
• Formula: C14 H13 N O5
• Calculated formula: C14 H13 N O5
• SMILES: N1=C(OC(=O)/C1=C/c1cc(OC)c(OC(=O)C)cc1)C
• Title of publication: 2-Methoxy-4-[2-methyl-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene)methyl]phenyl acetate
• Authors of publication: Xiangqian Wang; Mingjie Zhang; Zhaobin Qi; Shanshan Ma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1265 - o1266
• a: 26.552 ± 0.007 Å
• b: 7.3127 ± 0.0019 Å
• c: 15.933 ± 0.004 Å
• α: 90°
• β: 119.648 ± 0.003°
• γ: 90°
• Cell volume: 2688.6 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1126
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes