Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1552849
Preview
| Coordinates | 1552849.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H21 N O2 |
|---|---|
| Calculated formula | C16 H21 N O2 |
| Title of publication | Crystal Structures of Two Important Pharmaceuticals Solved by 3D Precession Electron Diffraction Tomography |
| Authors of publication | Das, Partha P.; Mugnaioli, Enrico; Nicolopoulos, Stavros; Tossi, Camilla; Gemmi, Mauro; Galanis, Athanasios; Borodi, Gheorghe; Pop, Mihaela M. |
| Journal of publication | Organic Process Research & Development |
| Year of publication | 2018 |
| Journal volume | 22 |
| Journal issue | 10 |
| Pages of publication | 1365 |
| a | 4.99 Å |
| b | 11.92 Å |
| c | 22.95 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1365.08 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Diffraction radiation probe | electron |
| Diffraction radiation wavelength | 0.0335 Å |
| Diffraction radiation type | electron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227486 (current) | 2019-11-12 | cif/ Adding structures of 1552849 via cif-deposit CGI script. |
1552849.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.