Information card for entry 2206008

Structure parameters

• Chemical name: O^1^,O^2^:O^3^,O^5^-Bis(phenylboranediyl)-α-D-glucofuranose
• Formula: C18 H18 B2 O6
• Calculated formula: C18 H18 B2 O6
• SMILES: [C@H]12[C@@H]([C@@H]3[C@H](O2)OB(c2ccccc2)O3)OB(c2ccccc2)O[C@@H]1CO
• Title of publication: <i>O</i>^1^,<i>O</i>^2^:<i>O</i>^3^,<i>O</i>^5^-Bis(phenylboranediyl)-α-<small>D</small>-glucofuranose
• Authors of publication: Draffin, Scott P.; Duggan, Peter J.; Fallon, Gary D.; Tyndall, Edward M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1733 - o1735
• a: 10.2706 ± 0.0001 Å
• b: 12.5577 ± 0.0002 Å
• c: 13.3708 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1724.5 ± 0.04 ų
• Cell temperature: 123 ± 2 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 significantly intense reflections: 0.0318
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes