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Information card for entry 1548237
Preview
| Coordinates | 1548237.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H54 O9 |
|---|---|
| Calculated formula | C39 H54 O9 |
| SMILES | O=C1C(C(=O)C2=C(Oc3c([C@H]2C(C)C)c(O)c2c(O[C@]45OC(C[C@@H]4[C@H]2C(C(=O)C5(C)C)(C)C)(C)C)c3C(=O)C(C)C)C1(C)C)(C)C.OC.O=C1C(C(=O)C2=C(Oc3c([C@@H]2C(C)C)c(O)c2c(O[C@@]45OC(C[C@H]4[C@@H]2C(C(=O)C5(C)C)(C)C)(C)C)c3C(=O)C(C)C)C1(C)C)(C)C.OC |
| 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 | 10.6706 ± 0.001 Å |
| b | 13.8828 ± 0.0012 Å |
| c | 14.1078 ± 0.0013 Å |
| α | 70.567 ± 0.003° |
| β | 84.605 ± 0.003° |
| γ | 69.424 ± 0.003° |
| Cell volume | 1844.5 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0904 |
| Residual factor for significantly intense reflections | 0.0509 |
| Weighted residual factors for significantly intense reflections | 0.1095 |
| Weighted residual factors for all reflections included in the refinement | 0.1273 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228738 (current) | 2019-11-17 | cif/ Updating files of 1548236, 1548237, 1548238, 1548239, 1548240 Original log message: Adding full bibliography for 1548236--1548240.cif. |
1548237.cif |
| 203654 | 2017-11-28 | cif/ Adding structures of 1548236, 1548237, 1548238, 1548239, 1548240 via cif-deposit CGI script. |
1548237.cif |
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Users of the data should acknowledge the original authors of the
structural data.