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Information card for entry 1551399
Preview
| Coordinates | 1551399.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H16 N2 O2 |
|---|---|
| Calculated formula | C14 H16 N2 O2 |
| SMILES | O=C1N2[C@H](C(=O)N[C@H](c3ccccc3)C1)CCC2 |
| Title of publication | Nonribosomal biosynthesis of backbone-modified peptides |
| Authors of publication | David L. Niquille; Douglas A. Hansen; Takahiro Mori; David Fercher; Hajo Kries; Donald Hilvert |
| Journal of publication | Nature Chemistry |
| Year of publication | 2018 |
| Journal volume | 10 |
| Pages of publication | 282 - 287 |
| a | 7.1977 ± 0.00006 Å |
| b | 9.65236 ± 0.00005 Å |
| c | 18.11426 ± 0.00009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1258.48 ± 0.014 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0322 |
| Residual factor for significantly intense reflections | 0.0313 |
| Weighted residual factors for significantly intense reflections | 0.0824 |
| Weighted residual factors for all reflections included in the refinement | 0.0831 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215928 (current) | 2019-06-13 | cif/ Adding structures of 1551399 via cif-deposit CGI script. |
1551399.cif |
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