Information card for entry 4026770

Structure parameters

• Formula: C15 H14 N2 O5
• Calculated formula: C15 H14 N2 O5
• SMILES: O(N(OCc1ccc(cc1)N(=O)=O)C(=O)c1ccccc1)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: 10.9575 ± 0.0003 Å
• b: 17.3679 ± 0.0005 Å
• c: 7.9564 ± 0.0002 Å
• α: 90°
• β: 108.867 ± 0.003°
• γ: 90°
• Cell volume: 1432.82 ± 0.07 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No