Information card for entry 2200668

Structure parameters

• Formula: C15 H19 Br O4
• Calculated formula: C15 H19 Br O4
• SMILES: C(C)(C)([C@@H]1CC[C@H]([C@@H](C(=O)c2ccc(cc2)Br)O)O1)O
• Title of publication: (2<i>S</i>)-1-(4-Bromophenyl)-2-hydroxy-2-[(2<i>S</i>,5<i>R</i>)-5-(1-hydroxy-1-methylethyl)-tetrahydrofuran-2-yl]ethanone
• Authors of publication: Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: o1061 - o1062
• a: 7.7184 ± 0.0015 Å
• b: 7.8674 ± 0.0016 Å
• c: 25.374 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1540.8 ± 0.5 ų
• Cell temperature: 120 ± 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 significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.1931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes