Information card for entry 7151356

Structure parameters

• Common name: acetic acid 5-(5-acetoxy-2,2-dimethyl-(1,3)dioxan-5-yl-ONN- azoxy)-2,2-dimethyl-(1,3)dioxan-5-yl ester
• Formula: C16 H26 N2 O9
• Calculated formula: C16 H26 N2 O9
• SMILES: O1CC(OC(=O)C)(N(=NC2(OC(=O)C)COC(OC2)(C)C)=O)COC1(C)C
• Title of publication: Intermolecular nitroso Diels-Alder cycloaddition of alpha-acetoxynitroso derivatives in aqueous medium.
• Authors of publication: Calvet, Géraldine; Guillot, Régis; Blanchard, Nicolas; Kouklovsky, Cyrille
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 24
• Pages of publication: 4395 - 4401
• a: 10.675 ± 0.0004 Å
• b: 10.8521 ± 0.0005 Å
• c: 33.594 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3891.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No