Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 3000314
Preview
No preview available: structure is on hold until 2021-12-04
| Coordinates | Coordinates are not available: structure is on hold until 2021-12-04 |
|---|
| Formula | C10 H14 Br N O4 |
|---|---|
| Title of publication | (2S,4S)-2-amino-4-(4-bromophenyl)-4-hydroxybutanoic acid |
| Authors of publication | Ellis, Jonathan; Campbell, Meghan; Kumar, Prasanth; Geunes, Eric; Buller, Andrew |
| Journal of publication | To be published |
| a | 7.4261 ± 0.0018 Å |
| b | 5.3296 ± 0.0016 Å |
| c | 15.004 ± 0.004 Å |
| α | 90° |
| β | 104.077 ± 0.015° |
| γ | 90° |
| Cell volume | 576 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.01 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0145 |
| Residual factor for significantly intense reflections | 0.0143 |
| Weighted residual factors for significantly intense reflections | 0.0388 |
| Weighted residual factors for all reflections included in the refinement | 0.0389 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | No |
| Has disorder | No |
| Has Fobs | No |
Version history
Not available for prepublication material.
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.