Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7250443
Preview
| Coordinates | 7250443.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H13 N2 O5 P |
|---|---|
| Calculated formula | C5 H13 N2 O5 P |
| Title of publication | Assessment of the structure-activity relationship of analogs of the Naegleria fowleri enolase inhibitor HEX |
| Authors of publication | Kwain, Samuel; Morris, James W. D.; McKeon, Jillian Elisa Milanes; Roster, Colm P.; Noori, Monireh; Gibbs, Aysiah R.; Stevenson III, Robert L; McMillen, Colin; Dominy, Brian N.; Morris, James C.; Whitehead, Daniel Charles |
| Journal of publication | RSC Medicinal Chemistry |
| Year of publication | 2025 |
| a | 6.1084 ± 0.0003 Å |
| b | 8.9906 ± 0.0005 Å |
| c | 15.92 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 874.3 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0331 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0774 |
| Weighted residual factors for all reflections included in the refinement | 0.0787 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299803 (current) | 2025-05-24 | cif/ Adding structures of 7250443, 7250444 via cif-deposit CGI script. |
7250443.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.