Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7124817
Preview
Coordinates | 7124817.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 4-Methylquinoline N-Oxide Dihydrate |
---|---|
Formula | C10 H13 N O3 |
Calculated formula | C10 H13 N O3 |
Title of publication | Mechanistic insights into the potassium tert-butoxide-mediated synthesis of N-heterobiaryls. |
Authors of publication | Stephens, David E.; Lakey-Beitia, Johant; Burch, Jessica E.; Arman, Hadi D.; Larionov, Oleg V. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2016 |
Journal volume | 52 |
Journal issue | 64 |
Pages of publication | 9945 - 9948 |
a | 6.69 ± 0.004 Å |
b | 8.863 ± 0.005 Å |
c | 9.115 ± 0.006 Å |
α | 107.219 ± 0.006° |
β | 111.191 ± 0.011° |
γ | 92.478 ± 0.005° |
Cell volume | 474.4 ± 0.5 Å3 |
Cell temperature | 98 K |
Ambient diffraction temperature | 98 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 | 0.0551 |
Residual factor for significantly intense reflections | 0.0486 |
Weighted residual factors for significantly intense reflections | 0.1138 |
Weighted residual factors for all reflections included in the refinement | 0.1186 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7124817.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.