Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2312743
Preview
| Coordinates | 2312743.cif |
|---|---|
| Structure factors | 2312743.hkl |
| Original IUCr paper | HTML |
| Chemical name | (1-Carboxy-2-phenylethyl)(naphthalen-2-ylmethyl)azanium chloride acetic acid monosolvate |
|---|---|
| Formula | C22 H24 Cl N O4 |
| Calculated formula | C22 H24 Cl N O4 |
| Title of publication | Conformational versatility among crystalline solids of L-phenylalanine derivatives. |
| Authors of publication | Movilla, Federico; Rey, Juan Manuel; López Borda, María Del Rosario; Di Salvo, Florencia |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | 2 |
| a | 5.058 ± 0.005 Å |
| b | 14.786 ± 0.005 Å |
| c | 26.482 ± 0.014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1981 ± 2 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 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 | 0.0788 |
| Residual factor for significantly intense reflections | 0.064 |
| Weighted residual factors for significantly intense reflections | 0.1689 |
| Weighted residual factors for all reflections included in the refinement | 0.1819 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.79986 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297468 (current) | 2025-01-25 | cif/ hkl/ Adding structures of 2312742, 2312743, 2312744, 2312745 via cif-deposit CGI script. |
2312743.cif 2312743.hkl |
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.