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Information card for entry 4127218
Preview
| Coordinates | 4127218.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H12 Cl N O3 |
|---|---|
| Calculated formula | C6 H12 Cl N O3 |
| SMILES | [Cl-].O1C(=O)[C@@H]([NH3+])[C@H]([C@@H]1CO)C |
| Title of publication | Synthesis of the Death-Cap Mushroom Toxin α-Amanitin |
| Authors of publication | Matinkhoo, Kaveh; Pryyma, Alla; Todorovic, Mihajlo; Patrick, Brian O.; Perrin, David M. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| a | 7.9511 ± 0.0016 Å |
| b | 6.7919 ± 0.0014 Å |
| c | 8.8449 ± 0.0018 Å |
| α | 90° |
| β | 111.6 ± 0.03° |
| γ | 90° |
| Cell volume | 444.11 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0157 |
| Residual factor for significantly intense reflections | 0.0157 |
| Weighted residual factors for significantly intense reflections | 0.0516 |
| Weighted residual factors for all reflections included in the refinement | 0.0517 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.507 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 207040 (current) | 2018-03-22 | cif/ Adding structures of 4127218 via cif-deposit CGI script. |
4127218.cif |
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Users of the data should acknowledge the original authors of the
structural data.