Information card for entry 4029172

Structure parameters

• Formula: C11 H17 N O6
• Calculated formula: C11 H17 N O6
• SMILES: O1C(=O)N2[C@@](OC[C@]2(C(=O)OC)C)([C@]1(OC)C)C
• Title of publication: Influence of amino Acid stereocenters on the formation of bicyclic n,o-acetals.
• Authors of publication: Jiménez-Osés, Gonzalo; Aydillo, Carlos; Busto, Jesús H; Zurbano, María M; Peregrina, Jesús M; Avenoza, Alberto
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 6
• Pages of publication: 2556 - 2563
• a: 5.761 ± 0.0002 Å
• b: 15.919 ± 0.0008 Å
• c: 6.736 ± 0.0003 Å
• α: 90°
• β: 97.77 ± 0.002°
• γ: 90°
• Cell volume: 612.08 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No