Information card for entry 7203511

Structure parameters

• Formula: C18 H18 B2 O6
• Calculated formula: C18 H18 B2 O6
• SMILES: O1B(O[C@@H]2[C@H]3OB(O[C@@H]([C@H]3O[C@H]12)CO)c1ccccc1)c1ccccc1
• Title of publication: Modulated crystal structure (Z? = 2) of ?-d-glucofuranose-1,2?3,5-bis(p-tolyl)boronate
• Authors of publication: Chandran, Sreekanth K.; Nangia, Ashwini
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 8
• Pages of publication: 581
• a: 10.475 ± 0.003 Å
• b: 12.572 ± 0.004 Å
• c: 13.554 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1784.9 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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 all reflections: 0.2943
• Residual factor for significantly intense reflections: 0.1023
• Weighted residual factors for significantly intense reflections: 0.1824
• Weighted residual factors for all reflections included in the refinement: 0.2196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No