Information card for entry 2212141

Structure parameters

• Chemical name: (Z)-4-(2-Oxo-1,3-oxazolidin-3-ylcarbonyl)prop-2-enoic acid
• Formula: C7 H7 N O5
• Calculated formula: C7 H7 N O5
• SMILES: O1CCN(C1=O)C(=O)/C=C\C(=O)O
• Title of publication: (<i>Z</i>)-3-(2-Oxo-1,3-oxazolidin-3-ylcarbonyl)prop-2-enoic acid
• Authors of publication: Shen, Yu-Dong; Wang, Yu; Xiao, Zhi-Li; Lei, Hong-Tao; Sun, Yuan-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o710 - o711
• a: 8.4248 ± 0.0016 Å
• b: 5.0585 ± 0.0009 Å
• c: 18.06 ± 0.003 Å
• α: 90°
• β: 91.128 ± 0.003°
• γ: 90°
• Cell volume: 769.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0495
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes