Information card for entry 7152368

Structure parameters

• Formula: C20 H29 B N2 O6
• Calculated formula: C20 H29 B N2 O6
• SMILES: O1[C@@H]2OC(O[C@@H]2[C@H]2OC(O[C@H]2[C@H]1C[NH](OCc1ccccc1)[BH2]C#N)(C)C)(C)C
• Title of publication: Intramolecular cyclization of alkoxyaminosugars: access to novel glycosidase inhibitor families.
• Authors of publication: Martínez-Castro, Elisa; González-Benjumea, Alejandro; López, Oscar; Maya, Inés; Alvarez, Eleuterio; Fernández-Bolaños, José G
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 21
• Pages of publication: 4220 - 4228
• a: 8.5632 ± 0.0003 Å
• b: 11.8122 ± 0.0004 Å
• c: 10.9084 ± 0.0004 Å
• α: 90°
• β: 91.69 ± 0.001°
• γ: 90°
• Cell volume: 1102.91 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No