Information card for entry 7154049

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: A neighboring group participation strategy: direct and highly diastereoselective synthesis of 2-substituted and 2,2-bisubstituted perhydrofuro[2,3-b]pyran derivatives.
• Authors of publication: Ma, Xiaofeng; Tang, Qin; Ke, Jun; Zhang, Jichao; Yang, Xinglong; Shen, Xudong; Shao, Huawu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 37
• Pages of publication: 7381 - 7388
• 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
• Duplicate of: 7153973
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No