Information card for entry 1555762

Structure parameters

• Formula: C15 H24 O4
• Calculated formula: C15 H24 O4
• SMILES: O1[C@@]23[C@@H]([C@@H]4O[C@@H]4[C@H]([C@]13CO)C)C(C[C@@]2(CO)C)(C)C.O1[C@]23[C@H]([C@H]4O[C@H]4[C@@H]([C@@]13CO)C)C(C[C@]2(CO)C)(C)C
• Title of publication: Catalytic Enantioselective Total Synthesis of Hypocrolide A.
• Authors of publication: Qiao, Chuang; Zhang, Wen; Han, Jing-Chun; Li, Chuang-Chuang
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 19
• Pages of publication: 4932 - 4935
• a: 9.22 ± 0.002 Å
• b: 9.221 ± 0.003 Å
• c: 17.022 ± 0.004 Å
• α: 90°
• β: 95.108 ± 0.008°
• γ: 90°
• Cell volume: 1441.4 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1064
• Residual factor for significantly intense reflections: 0.09
• Weighted residual factors for significantly intense reflections: 0.309
• Weighted residual factors for all reflections included in the refinement: 0.3901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.905
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No