Information card for entry 2206766

Structure parameters

• Chemical name: Methyl 2-O-benzyl-3,4-O-dibenzoyl-1-thio-β-L-fucopyranoside
• Formula: C28 H28 O6 S
• Calculated formula: C28 H28 O6 S
• SMILES: S([C@H]1O[C@H]([C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OCc1ccccc1)C)C
• Title of publication: Methyl 3,4-<i>O</i>-dibenzoyl-2-<i>O</i>-benzyl-1-thio-β-<small>L</small>-fucopyranoside
• Authors of publication: Laurent F. Bornaghi; Nicholas B. Drinnan; Tracie Ramsdale; Peter C. Healy; Alan R. White
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2899 - o2901
• a: 11.725 ± 0.002 Å
• b: 20.396 ± 0.003 Å
• c: 11.04 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2640.1 ± 0.8 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295.2 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: 0.0932
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes