Information card for entry 1555760

Structure parameters

• Formula: C25 H27 O6
• Calculated formula: C25 H27 O6
• SMILES: O=C1OC[C@@]2(C)CC(C)([C@@]34OC5Oc6c(C(=O)C=5[C@@H]3C[C@H](C1=C24)C)c(OC)ccc6)C.O=C1OC[C@]2(C)CC(C)([C@]34OC5Oc6c(C(=O)C=5[C@H]3C[C@@H](C1=C24)C)c(OC)ccc6)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: 11.481 ± 0.0002 Å
• b: 13.8874 ± 0.0003 Å
• c: 14.2299 ± 0.001 Å
• α: 90°
• β: 111.405 ± 0.008°
• γ: 90°
• Cell volume: 2112.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0588
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No