Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7233342
Preview
| Coordinates | 7233342.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H27 F4 N2 O3 P |
|---|---|
| Calculated formula | C21 H27 F4 N2 O3 P |
| Title of publication | Synthesis, structural studies and biological properties of some phosphono-perfluorophenylalanine derivatives formed by SNAr reactions |
| Authors of publication | Kwiczak-Yiğitbaşı, Joanna; Pirat, Jean-Luc; Virieux, David; Volle, Jean-Noël; Janiak, Agnieszka; Hoffmann, Marcin; Mrzygłód, Jakub; Wawrzyniak, Dariusz; Barciszewski, Jan; Pluskota-Karwatka, Donata |
| Journal of publication | RSC Advances |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 42 |
| Pages of publication | 24117 |
| a | 8.8604 ± 0.0004 Å |
| b | 9.8978 ± 0.0008 Å |
| c | 13.1171 ± 0.0007 Å |
| α | 91.889 ± 0.005° |
| β | 91.35 ± 0.004° |
| γ | 109.119 ± 0.006° |
| Cell volume | 1085.59 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.063 |
| Residual factor for significantly intense reflections | 0.0447 |
| Weighted residual factors for significantly intense reflections | 0.0951 |
| Weighted residual factors for all reflections included in the refinement | 0.1062 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7233342.cif |
| 217423 | 2019-08-06 | cif/ Adding structures of 7233342, 7233343 via cif-deposit CGI script. |
7233342.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.