Information card for entry 1507546

Structure parameters

• Formula: C17 H21 N O4
• Calculated formula: C17 H21 N O4
• SMILES: N([C@H]1[C@H]([C@@H]2OC(O[C@H]12)(C)C)CC(=O)C)C(=O)c1ccccc1
• Title of publication: An Unusual Samarium Diiodide Mediated Reductive Ring Contraction of a Tricyclic Oxazine to a Highly-Functionalized Cyclopentane and Cyclobutane
• Authors of publication: McAuley, Barry J.; Nieuwenhuyzen, Mark; Sheldrake, Gary N.
• Journal of publication: Organic Letters
• Year of publication: 2000
• Journal volume: 2
• Journal issue: 10
• Pages of publication: 1457
• a: 11.335 ± 0.009 Å
• b: 5.24 ± 0.008 Å
• c: 13.442 ± 0.01 Å
• α: 90°
• β: 104.1 ± 0.05°
• γ: 90°
• Cell volume: 774.3 ± 1.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1279
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No