Information card for entry 2022406

Structure parameters

• Chemical name: Isopropyl 3-deoxy-α-<it>D</it>-<i>ribo</i>-hexopyranoside
• Formula: C9 H18 O5
• Calculated formula: C9 H18 O5
• SMILES: O([C@H]1O[C@@H]([C@@H](O)C[C@H]1O)CO)C(C)C
• Title of publication: Isopropyl 3-deoxy-α-<small>D</small>-<i>ribo</i>-hexopyranoside (isopropyl 3-deoxy-α-<small>D</small>-glucopyranoside): evaluating trends in structural parameters
• Authors of publication: Lin, Jieye; Oliver, Allen G.; Meredith, Reagan J.; Carmichael, Ian; Serianni, Anthony S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 8
• a: 13.7349 ± 0.0011 Å
• b: 5.0575 ± 0.0004 Å
• c: 16.08 ± 0.0012 Å
• α: 90°
• β: 109.02 ± 0.007°
• γ: 90°
• Cell volume: 1056 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes