Information card for entry 7155337

Structure parameters

• Formula: C21 H24 O5 S
• Calculated formula: C21 H24 O5 S
• SMILES: C1(=O)C[C@]23[C@H](C[C@@]([C@H]4[C@@H](C2)[C@H]([C@H](C4)OC(=S)Oc2ccccc2)C)(C)O3)O1
• Title of publication: Asymmetric Total Synthesis of Hedyosumin E aglycon, 7,10-Epoxyhedyosminolide and ent-Zedolactone A
• Authors of publication: Wang, Xuan; Sun, Wangbin; Zou, Jian-Ping; lin, guoqiang; Sun, Bingfeng
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2016
• a: 10.2408 ± 0.0011 Å
• b: 11.0014 ± 0.0012 Å
• c: 17.5608 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1978.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0316
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No