Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1569477
Preview
Coordinates | 1569477.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H14 N4 O2 |
---|---|
Calculated formula | C20 H14 N4 O2 |
Title of publication | Experimental and Computational Investigation of the Oxime Bond Stereochemistry in c-Jun N-terminal Kinase 3 Inhibitors 11H-Indeno[1,2-b]quinoxalin-11-one Oxime and Tryptanthrin-6-oxime |
Authors of publication | Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Kovrizhina, Anastasia R.; Sukhikh, Taisiya S.; Sadykov, Evgeniy H.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Khlebnikov, Andrei I.; Potapov, Andrei S. |
Journal of publication | Pharmaceutics |
Year of publication | 2023 |
Journal volume | 15 |
Journal issue | 7 |
Pages of publication | 1802 |
a | 5.0745 ± 0.0001 Å |
b | 12.3974 ± 0.0002 Å |
c | 25.5587 ± 0.0004 Å |
α | 90° |
β | 92.126 ± 0.001° |
γ | 90° |
Cell volume | 1606.81 ± 0.05 Å3 |
Cell temperature | 92 ± 2 K |
Ambient diffraction temperature | 92 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0769 |
Residual factor for significantly intense reflections | 0.0464 |
Weighted residual factors for significantly intense reflections | 0.1084 |
Weighted residual factors for all reflections included in the refinement | 0.1251 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/1569477.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.