Information card for entry 4101574

Structure parameters

• Formula: C15 H27 N O3
• Calculated formula: C15 H27 N O3
• SMILES: [C@H]1(C[C@H]2CC[C@@H]3CC[C@H]([C@]2(N3)O1)CO)OC(C)(C)C.[C@@H]1(C[C@@H]2CC[C@H]3CC[C@@H]([C@@]2(N3)O1)CO)OC(C)(C)C
• Title of publication: Synthesis, X-ray crystallography, and computational analysis of 1-azafenestranes.
• Authors of publication: Denmark, Scott E; Montgomery, Justin I; Kramps, Laurenz A
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 35
• Pages of publication: 11620 - 11630
• a: 16.734 ± 0.011 Å
• b: 8.442 ± 0.006 Å
• c: 21.245 ± 0.014 Å
• α: 90°
• β: 97.969 ± 0.011°
• γ: 90°
• Cell volume: 2972 ± 3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.1108
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No