Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4131641
Preview
Coordinates | 4131641.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H19 N O5 |
---|---|
Calculated formula | C14 H19 N O5 |
Title of publication | Highly Functionalized Tricyclic Oxazinanones via Pairwise Oxidative Dearomatization and N-Hydroxycarbamate Dehydrogenation: Molecular Diversity Inspired by Tetrodotoxin. |
Authors of publication | Good, Steffen N.; Sharpe, Robert J.; Johnson, Jeffrey S. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 36 |
Pages of publication | 12422 - 12425 |
a | 11.222 ± 0.0005 Å |
b | 11.5293 ± 0.0006 Å |
c | 13.0311 ± 0.0007 Å |
α | 75.367 ± 0.003° |
β | 64.51 ± 0.002° |
γ | 72.713 ± 0.002° |
Cell volume | 1437.83 ± 0.13 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0548 |
Residual factor for significantly intense reflections | 0.0486 |
Weighted residual factors for significantly intense reflections | 0.137 |
Weighted residual factors for all reflections included in the refinement | 0.1413 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.168 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4131641.html
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.