Information card for entry 2217779

Structure parameters

• Chemical name: (Z)-Methyl 2-methoxyimino-3-oxobutanoate
• Formula: C6 H9 N O4
• Calculated formula: C6 H9 N O4
• SMILES: O(/N=C(\C(=O)OC)C(=O)C)C
• Title of publication: (<i>Z</i>)-Methyl 2-methoxyimino-3-oxobutanoate
• Authors of publication: Lu, Jin-Yong; Shen, Wei-Zheng; Preut, Hans; Arndt, Hans-Dieter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o602
• a: 8.341 ± 0.0017 Å
• b: 13.41 ± 0.003 Å
• c: 7.29 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 815.4 ± 0.3 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes