Information card for entry 1553199

Structure parameters

• Common name: 10
• Chemical name: ()-10,10-dimethylhexahydro-2H-pyrrolo[1,2-b][1,2]oxazecine-7,9,11(10H)-trione
• Formula: C13 H19 N O4
• Calculated formula: C13 H19 N O4
• SMILES: C1(=O)C(C(=O)C2CC(=O)CCCCCON12)(C)C
• Title of publication: Access to bicyclic hydroxamate macrocycles via intramolecular aza-(4 + 3) cyloaddition reactions of aza-oxyallylic cation intermediates
• Authors of publication: Acharya, A.; Eickhoff, J. A.; Chen, K.; Catalano, V. J.; Jeffrey, C. S.
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 3
• Pages of publication: 330
• a: 11.3134 ± 0.0005 Å
• b: 9.429 ± 0.0004 Å
• c: 12.7345 ± 0.0006 Å
• α: 90°
• β: 110.991 ± 0.0008°
• γ: 90°
• Cell volume: 1268.29 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction 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: 0.0791
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.2501
• Weighted residual factors for all reflections included in the refinement: 0.2774
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No