Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8105143
Preview
Coordinates | 8105143.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H20 F N3 O2 S |
---|---|
Calculated formula | C28 H20 F N3 O2 S |
Title of publication | Crystal structure of 3-(2-(5-(4-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl)thiazol-4-yl)-2H-chromen-2-one, C28H20FN3O2S |
Authors of publication | Alotibi, Mohammed F.; Abdel-Wahab, Bakr F.; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A. |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2020 |
Journal volume | 235 |
Journal issue | 2 |
Pages of publication | 469 - 471 |
a | 9.1325 ± 0.0007 Å |
b | 11.5184 ± 0.0009 Å |
c | 11.6535 ± 0.0009 Å |
α | 74.682 ± 0.007° |
β | 84.253 ± 0.006° |
γ | 76.72 ± 0.007° |
Cell volume | 1149.67 ± 0.16 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1025 |
Residual factor for significantly intense reflections | 0.0574 |
Weighted residual factors for significantly intense reflections | 0.1166 |
Weighted residual factors for all reflections included in the refinement | 0.1438 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.71073 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/8105143.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.