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Information card for entry 4515148
Preview
| Coordinates | 4515148.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 24 |
|---|---|
| Formula | C15 H24 F3 N O4 |
| Calculated formula | C15 H24 F3 N O4 |
| SMILES | FC1(CCC(F)(F)CC1)C[C@H](NC(=O)OC(C)(C)C)C(=O)OC |
| Title of publication | Radical Functionalization of Unsaturated Amino Acids: Synthesis of Side-Chain-Fluorinated, Azido-Substituted, and Hydroxylated Amino Acids. |
| Authors of publication | Reeve, Philip A. P.; Grabowska, Urszula; Oden, Lourdes Salvador; Wiktelius, Daniel; Wångsell, Fredrik; Jackson, Richard F. W. |
| Journal of publication | ACS omega |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 6 |
| Pages of publication | 10854 - 10865 |
| a | 5.2019 ± 0.0001 Å |
| b | 11.2334 ± 0.0003 Å |
| c | 28.6154 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1672.14 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0271 |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for significantly intense reflections | 0.0646 |
| Weighted residual factors for all reflections included in the refinement | 0.0656 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4515148.cif |
| 220257 | 2019-10-28 | cif/ Adding structures of 4515147, 4515148, 4515149 via cif-deposit CGI script. |
4515148.cif |
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Users of the data should acknowledge the original authors of the
structural data.