Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1555006
Preview
| Coordinates | 1555006.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H35 N O4 |
|---|---|
| Calculated formula | C30 H35 N O4 |
| Title of publication | Asymmetric Synthesis of Substituted anti-β-Fluorophenylalanines. |
| Authors of publication | Davies, Stephen G.; Fletcher, Ai M.; Frost, Aileen B.; Roberts, Paul M.; Thomson, James E. |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 9 |
| Pages of publication | 2254 - 2257 |
| a | 9.7073 ± 0.0003 Å |
| b | 10.168 ± 0.0003 Å |
| c | 14.0374 ± 0.0004 Å |
| α | 85.597 ± 0.002° |
| β | 85.998 ± 0.002° |
| γ | 82.306 ± 0.002° |
| Cell volume | 1366.53 ± 0.07 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0522 |
| Residual factor for significantly intense reflections | 0.0493 |
| Weighted residual factors for all reflections | 0.1433 |
| Weighted residual factors for significantly intense reflections | 0.1377 |
| Weighted residual factors for all reflections included in the refinement | 0.1431 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9127 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1555006.cif |
| 238268 | 2019-11-24 | cif/ Adding structures of 1555003, 1555004, 1555005, 1555006, 1555007, 1555008 via cif-deposit CGI script. |
1555006.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.