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Information card for entry 7245240
Preview
| Coordinates | 7245240.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Argyrin-D |
|---|---|
| Formula | C168 H184 N40 O32 S4 |
| Calculated formula | C42 H48 N10 O8 S |
| SMILES | c1(c(c2c(cccc2OC)[nH]1)C[C@H]1C(=O)NCC(=O)N[C@@H](C(=O)NC(=C)C(=O)N(CC(=O)N[C@@H](c2nc(C(=O)N[C@@H](Cc3c4ccccc4[nH]c3)C(=O)N1)cs2)C)C)CC)C |
| Title of publication | Crystal structure of natural product argyrin-D determined by 3D electron diffraction |
| Authors of publication | Gorelik, Tatiana E.; Tehrani, Kamal; Gruene, Tim; Monecke, Thomas; Niessing, Dierk; Kaiser, Ute; Blankenfeldt, Wulf; Müller, Rolf |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 22.737 Å |
| b | 22.737 Å |
| c | 9.143 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4726.67 Å3 |
| Cell temperature | 77 K |
| Ambient diffraction temperature | 77 K |
| Number of distinct elements | 5 |
| Space group number | 78 |
| Hermann-Mauguin space group symbol | P 43 |
| Hall space group symbol | P 4cw |
| Residual factor for all reflections | 0.2232 |
| Residual factor for significantly intense reflections | 0.178 |
| Weighted residual factors for significantly intense reflections | 0.4023 |
| Weighted residual factors for all reflections included in the refinement | 0.4327 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.296 |
| Diffraction radiation wavelength | 0.0251 Å |
| Diffraction radiation type | electrons |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277045 (current) | 2022-08-03 | cif/ Adding structures of 7245240 via cif-deposit CGI script. |
7245240.cif |
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