Information card for entry 7153276

Structure parameters

• Formula: C17 H24 O10
• Calculated formula: C17 H24 O10
• SMILES: [C@@H]1(OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H](COC(=O)C)C1
• Title of publication: Chemoenzymatic synthesis of the carbasugars carba-beta-L-galactopyranose, carba-beta-L-talopyranose and carba-alpha-L-talopyranose from methyl benzoate.
• Authors of publication: Boyd, Derek R.; Sharma, Narain D.; Bowers, Nigel I.; Coen, Gerard B.; Malone, John F.; O'Dowd, Colin R; Stevenson, Paul J.; Allen, Christopher C. R.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 6
• Pages of publication: 1415 - 1423
• a: 8.86 ± 0.002 Å
• b: 8.897 ± 0.002 Å
• c: 13.022 ± 0.003 Å
• α: 90°
• β: 109.05 ± 0.03°
• γ: 90°
• Cell volume: 970.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No