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Information card for entry 1567830
Preview
| Coordinates | 1567830.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H30 O4 |
|---|---|
| Calculated formula | C28 H29 O4 |
| SMILES | O(C/C=C(/[C@@H](OC)[C@H](C(=O)O)C)C)C(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Total Synthesis of Antibacterial Polyketide Natural Product Thailandamide Lactone |
| Authors of publication | Sharma, Himangshu; Mondal, Joyanta Mr.; Ghosh, Ananyo K. Mr.; Pal, Ritesh Ranjan Dr.; Goswami, Rajib Kumar |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 9.6794 ± 0.0011 Å |
| b | 9.6794 ± 0.0011 Å |
| c | 49.548 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4642.2 ± 1.1 Å3 |
| Cell temperature | 105.33 K |
| Ambient diffraction temperature | 105.33 K |
| Number of distinct elements | 3 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0731 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.1149 |
| Weighted residual factors for all reflections included in the refinement | 0.128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.155 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278716 (current) | 2022-10-22 | cif/ Adding structures of 1567829, 1567830 via cif-deposit CGI script. |
1567830.cif |
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