Information card for entry 2013766

Structure parameters

• Formula: C10 H15 N O4
• Calculated formula: C10 H15 N O4
• SMILES: O(C(=C(/N(C(=O)C)C(=O)C)C)/C)C(=O)C
• Title of publication: (1<i>E</i>)-2-(Diacetylamino)-1-methylprop-1-enyl acetate
• Authors of publication: Bjorn Olesen; Marcus R. Bond
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: o196 - o197
• a: 7.6817 ± 0.0004 Å
• b: 7.8385 ± 0.0003 Å
• c: 18.0466 ± 0.0009 Å
• α: 90°
• β: 97.708 ± 0.002°
• γ: 90°
• Cell volume: 1076.82 ± 0.09 ų
• Cell temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes