Information card for entry 7213347

Structure parameters

• Formula: C22 H33 Br O12
• Calculated formula: C22 H33 Br O12
• SMILES: Br[C@@](C(=O)C)([C@@H](O[C@H]1[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H](O1)COC(=O)C)OCCC)C
• Title of publication: Regio- and stereo-selective bromo(alkoxylation)s of (E )-α-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyloxymethylene) carbonyl compounds. A route to near-stereopure α-bromo α-dioxymethyl carbonyl compounds †
• Authors of publication: Idris, M. Sum; Larsen, David S.; Pritchard, Robin G.; Schofield, Anthony; Stoodley, Richard J.; Tiffin, Peter D.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 14
• Pages of publication: 2195
• a: 11.952 ± 0.002 Å
• b: 13.551 ± 0.002 Å
• c: 17.076 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2765.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1175
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.346
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No