Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8105845
Preview

Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 8105845.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H18 F N3 O3 S |
---|---|
Calculated formula | C27 H18 F N3 O3 S |
Title of publication | Crystal structure of (3E,5E)-3,5-bis(4-cyanobenzylidene)-1-((4-fluorophenyl)sulfonyl)piperidin-4-one, C27H18FN3O3S |
Authors of publication | Li, Xiao-Yan; Meng, Qing-Guo; Hou, Gui-Ge |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2019 |
Journal volume | 234 |
Journal issue | 4 |
Pages of publication | 771 - 773 |
a | 8.091 ± 0.006 Å |
b | 42.84 ± 0.03 Å |
c | 7.096 ± 0.006 Å |
α | 90° |
β | 107.806 ± 0.01° |
γ | 90° |
Cell volume | 2342 ± 3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1109 |
Residual factor for significantly intense reflections | 0.0616 |
Weighted residual factors for significantly intense reflections | 0.1147 |
Weighted residual factors for all reflections included in the refinement | 0.1321 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
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/8105845.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.