Information card for entry 7203508

Structure parameters

• Formula: C20 H22 B2 O6
• Calculated formula: C20 H22 B2 O6
• SMILES: O1[C@H]2[C@@H](OB1c1ccc(cc1)C)O[C@@H]1[C@H](OB(O[C@H]21)c1ccc(cc1)C)CO
• 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: 11.221 ± 0.002 Å
• b: 5.4718 ± 0.0011 Å
• c: 30.459 ± 0.006 Å
• α: 90°
• β: 93.79 ± 0.03°
• γ: 90°
• Cell volume: 1866.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.062
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No