Information card for entry 8105183

Structure parameters

• Formula: C15 H15 N O5
• Calculated formula: C15 H15 N O5
• SMILES: O(C(=C1\OCC(=O)N(Cc2ccccc2)C1=O)\C)C(=O)C
• Title of publication: Crystal structure of (E)-1-(4-benzyl-3,5-dioxomorpholin-2-ylidene)ethyl acetate, C15H15N1O5
• Authors of publication: Wang, Yin-Xin; Qin, Kun; Wang, Rui; Zhang, Wen-Li; Zhong, Qi-Di
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 2
• Pages of publication: 217 - 218
• a: 5.075 ± 0.004 Å
• b: 11.147 ± 0.008 Å
• c: 13.319 ± 0.009 Å
• α: 106.064 ± 0.01°
• β: 96.091 ± 0.011°
• γ: 98.189 ± 0.01°
• Cell volume: 708.2 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0611
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No