Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8106480
Preview
Coordinates | 8106480.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H16 N2 O3 |
---|---|
Calculated formula | C15 H16 N2 O3 |
Title of publication | Crystal structure of (Z)-1-(1,5-dimethyl-1H-pyrazol-3-yl)-3-hydroxy-3-(4-methoxyphenyl)prop-2-en-1-one, C15H16N2O3 |
Authors of publication | Radi, Smaail; Tighadouini, Said; Eddike, Driss; Tillard, Monique; Mabkhot, Yahia N. |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2017 |
Journal volume | 232 |
Journal issue | 2 |
Pages of publication | 199 - 200 |
a | 11.223 ± 0.002 Å |
b | 11.9339 ± 0.0015 Å |
c | 11.945 ± 0.002 Å |
α | 90° |
β | 117.43 ± 0.02° |
γ | 90° |
Cell volume | 1420 ± 0.5 Å3 |
Cell temperature | 300 ± 2 K |
Ambient diffraction temperature | 300 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0852 |
Residual factor for significantly intense reflections | 0.0528 |
Weighted residual factors for significantly intense reflections | 0.1189 |
Weighted residual factors for all reflections included in the refinement | 0.1346 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
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/8106480.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.