Information card for entry 1540536

Structure parameters

• Formula: C15 H21 N3 O5
• Calculated formula: C15 H21 N3 O5
• SMILES: O1O[C@]2(O[C@H]3OC(=O)[C@@H]([C@H]4[C@@]13[C@H]([C@@](N=N#N)(CC4)C)CC2)C)C
• Title of publication: Transition-Metal-Free Oxidative Aliphatic C-H Azidation.
• Authors of publication: Zhang, Xiaofei; Yang, Haodong; Tang, Pingping
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 23
• Pages of publication: 5828 - 5831
• a: 6.359 ± 0.002 Å
• b: 22.998 ± 0.005 Å
• c: 32.023 ± 0.007 Å
• α: 90°
• β: 90.01 ± 0.001°
• γ: 90°
• Cell volume: 4683 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0806
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No