Information card for entry 1548239

Structure parameters

• Formula: C34 H45 O7
• Calculated formula: C34 H44 O7
• SMILES: O=C1C(C(=O)C(C)(C)C2=C1[C@@H](C(C)C)c1c(O2)c(c(O)c2c1O[C@@]1([C@@H]3O[C@@H]3[C@H](C[C@H]21)C(C)C)C)C(=O)C(C)C)(C)C
• Title of publication: Catalytic asymmetric total syntheses of myrtucommuacetalone, myrtucommuacetalone B, and callistrilones A, C, D and E.
• Authors of publication: Cheng, Min-Jing; Cao, Jia-Qing; Yang, Xin-Yi; Zhong, Li-Ping; Hu, Li-Jun; Lu, Xi; Hou, Bao-Long; Hu, Ya-Jian; Wang, Ying; You, Xue-Fu; Wang, Lei; Ye, Wen-Cai; Li, Chuang-Chuang
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 1488 - 1495
• a: 6.3828 ± 0.0001 Å
• b: 14.8993 ± 0.0001 Å
• c: 32.605 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3100.71 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0283
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No