Information card for entry 2225371

Structure parameters

• Chemical name: 3-[(<i>E</i>)-1-(Benzyloxyimino)ethyl]-2-oxo-2<i>H</i>-chromen-7-yl acetate
• Formula: C20 H17 N O5
• Calculated formula: C20 H17 N O5
• SMILES: o1c(=O)c(cc2ccc(OC(=O)C)cc12)/C(=N/OCc1ccccc1)C
• Title of publication: 3-[(<i>E</i>)-1-(Benzyloxyimino)ethyl]-2-oxo-2<i>H</i>-chromen-7-yl acetate
• Authors of publication: Wang, Hui; Xu, Su-hua; Zeng, Zhuo; Zhang, Yong-hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o511
• a: 6.3901 ± 0.0009 Å
• b: 11.2413 ± 0.0016 Å
• c: 12.9298 ± 0.0018 Å
• α: 102.643 ± 0.002°
• β: 96.923 ± 0.002°
• γ: 101.86 ± 0.002°
• Cell volume: 873.5 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0845
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes