Information card for entry 7109561

Structure parameters

• Formula: C12 H22 O5
• Calculated formula: C12 H22 O5
• SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H]2[C@H]1O[C@@](C2)(C)CCC)CO
• Title of publication: Straightforward and highly diastereoselective synthesis of 2,2-di-substituted perhydrofuro[2,3-b]pyran (and furan) derivatives promoted by BiCl3
• Authors of publication: Xiaofeng Ma; Qin Tang; Jun Ke; Jichao Zhang; Cong Wang; Haibo Wang; Yuxue Li; Huawu Shao
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 7085
• a: 6.2466 ± 0.0004 Å
• b: 6.8285 ± 0.0006 Å
• c: 16.0444 ± 0.0015 Å
• α: 90°
• β: 94.122 ± 0.008°
• γ: 90°
• Cell volume: 682.6 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.1057
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1934
• Weighted residual factors for all reflections included in the refinement: 0.2271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No