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Information card for entry 1559135
Preview
| Coordinates | 1559135.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H30 O4 |
|---|---|
| Calculated formula | C15 H30 O4 |
| SMILES | O[C@H]([C@@H](O)[C@@H](CCCCCCCCCC)C)C(=O)O |
| Title of publication | Cyclodepsipeptide Alveolaride C: Total Synthesis and Structural Assignment |
| Authors of publication | Saha, Sanu; Paul, Debobrata; Goswami, Rajib Kumar |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 8.38 ± 0.012 Å |
| b | 5.067 ± 0.007 Å |
| c | 19.58 ± 0.03 Å |
| α | 90° |
| β | 94.25 ± 0.04° |
| γ | 90° |
| Cell volume | 829 ± 2 Å3 |
| Cell temperature | 301 ± 2 K |
| Ambient diffraction temperature | 301.57 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.3111 |
| Residual factor for significantly intense reflections | 0.1285 |
| Weighted residual factors for significantly intense reflections | 0.2632 |
| Weighted residual factors for all reflections included in the refinement | 0.3464 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.938 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256607 (current) | 2020-09-22 | cif/ Adding structures of 1559135 via cif-deposit CGI script. |
1559135.cif |
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Users of the data should acknowledge the original authors of the
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