Information card for entry 2222825

Structure parameters

• Chemical name: 5-Azido-4-benzyloxy-2-methoxy-6-methylperhydropyran-3-ol
• Formula: C14 H19 N3 O4
• Calculated formula: C14 H19 N3 O4
• SMILES: O(Cc1ccccc1)[C@@H]1[C@@H](N=N#N)[C@@H](O[C@@H](OC)[C@H]1O)C
• Title of publication: 5-Azido-4-benzyloxy-2-methoxy-6-methylperhydropyran-3-ol
• Authors of publication: Fun, Hoong-Kun; Loh, Wan-Sin; Rai, Sankappa; Shetty, Prakash; Isloor, Arun M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1972
• a: 4.6662 ± 0.0002 Å
• b: 15.3356 ± 0.0008 Å
• c: 20.9273 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1497.54 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes