Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4027366
Preview
Coordinates | 4027366.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | in manuscript 7b |
---|---|
Formula | C14.5 H12 Cl N O3 |
Calculated formula | C14.5 H12 Cl N O3 |
Title of publication | From Propargylic Amides to Functionalized Oxazoles: Domino Gold Catalysis/Oxidation by Dioxygen |
Authors of publication | A. Stephen K. Hashmi; Maria Camila Blanco Jaimes; Andreas M. Schuster; Frank Rominger |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 6394 - 6408 |
a | 13.1264 ± 0.0016 Å |
b | 20.83 ± 0.003 Å |
c | 10.1064 ± 0.0012 Å |
α | 90° |
β | 109.576 ± 0.002° |
γ | 90° |
Cell volume | 2603.6 ± 0.6 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0999 |
Residual factor for significantly intense reflections | 0.076 |
Weighted residual factors for significantly intense reflections | 0.187 |
Weighted residual factors for all reflections included in the refinement | 0.2035 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4027366.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.