Information card for entry 4036019

Structure parameters

• Formula: C17 H33 N3 O8
• Calculated formula: C17 H33 N3 O8
• SMILES: OC[C@H]1O[C@H](OC(C)C)[C@H](NC(=O)C)C(=N\NC(=O)OC(C)(C)C)\[C@@H]1O.OC
• Title of publication: Regioselective Manipulation of GlcNAc Provides Allosamine, Lividosamine, and Related Compounds.
• Authors of publication: Zhang, Ji; Eisink, Niek N. H. M.; Witte, Martin D.; Minnaard, Adriaan J.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 2
• Pages of publication: 516 - 525
• a: 10.2358 ± 0.0007 Å
• b: 8.6625 ± 0.0006 Å
• c: 12.4764 ± 0.001 Å
• α: 90°
• β: 90.477 ± 0.002°
• γ: 90°
• Cell volume: 1106.21 ± 0.14 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: 0.0487
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No