Information card for entry 4126026

Structure parameters

• Formula: C21 H22 O7
• Calculated formula: C21 H22 O7
• SMILES: O1[C@]23[C@@H](C(=O)c4occ5c4[C@]2(C)[C@H](OC5=O)COC)[C@@H]2CCC(=O)[C@]2(C[C@@H]13)C
• Title of publication: Enantioselective Total Synthesis of (+)-Wortmannin.
• Authors of publication: Guo, Yinliang; Quan, Tianfei; Lu, Yandong; Luo, Tuoping
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 11.07084 ± 0.0001 Å
• b: 12.29131 ± 0.00012 Å
• c: 13.30647 ± 0.00014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1810.68 ± 0.03 ų
• Cell temperature: 100.02 ± 0.11 K
• Ambient diffraction temperature: 100.02 ± 0.11 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No