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Information card for entry 7157274
Preview
| Coordinates | 7157274.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | EIT_DB_004_01 |
|---|---|
| Formula | C16 H11 F N2 O2 |
| Calculated formula | C16 H11 F N2 O2 |
| Title of publication | Enantioselective catalytic synthesis of α-aryl-α-SCF<sub>3</sub>-β<sup>2,2</sup>-amino acids. |
| Authors of publication | Eitzinger, Andreas; Brière, Jean-François; Cahard, Dominique; Waser, Mario |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 3 |
| Pages of publication | 405 - 408 |
| a | 8.0852 ± 0.0007 Å |
| b | 7.8019 ± 0.0006 Å |
| c | 21.7718 ± 0.0019 Å |
| α | 90° |
| β | 97.796 ± 0.003° |
| γ | 90° |
| Cell volume | 1360.7 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0523 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.0993 |
| Weighted residual factors for all reflections included in the refinement | 0.1099 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7157274.cif |
| 247827 | 2020-02-04 | cif/ Updating files of 7157274 Original log message: Adding full bibliography for 7157274.cif. |
7157274.cif |
| 246219 | 2019-12-27 | cif/ Adding structures of 7157274 via cif-deposit CGI script. |
7157274.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.