Information card for entry 4026769

Structure parameters

• Formula: C10 H12 N2 O5
• Calculated formula: C10 H12 N2 O5
• SMILES: O(N(OCC)C(=O)c1ccc(cc1)N(=O)=O)C
• Title of publication: Structures of N,N-Dialkoxyamides: Pyramidal Anomeric Amides with Low Amidicity
• Authors of publication: Stephen A. Glover; Jonathan M. White; Adam A. Rosser; Katherine M. Digianantonio
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 9757 - 9763
• a: 12.2038 ± 0.0007 Å
• b: 4.1403 ± 0.0003 Å
• c: 22.3872 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1131.17 ± 0.13 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No