Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8106232
Preview
| Coordinates | 8106232.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H28 F6 N2 O S |
|---|---|
| Calculated formula | C24 H28 F6 N2 O S |
| Title of publication | Crystal structure of 3,5-bis(trifluoromethyl)benzyl(Z)-N-(adamantan-1-yl)morpholine-4-carbothioimidate, C24H28F6N2OS |
| Authors of publication | Al-Wahaibi, Lamya H.; Hassan, Hanan M.; Ghabbour, Hazem A.; El-Emam, Ali A. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 4 |
| Pages of publication | 607 - 609 |
| a | 17.4112 ± 0.0007 Å |
| b | 8.3694 ± 0.0003 Å |
| c | 17.6728 ± 0.0007 Å |
| α | 90° |
| β | 104.612 ± 0.002° |
| γ | 90° |
| Cell volume | 2492.01 ± 0.17 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1054 |
| Residual factor for significantly intense reflections | 0.0603 |
| Weighted residual factors for significantly intense reflections | 0.143 |
| Weighted residual factors for all reflections included in the refinement | 0.1704 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279530 (current) | 2022-11-24 | cif/ Adding structures of 8106232 via cif-deposit CGI script. |
8106232.cif |
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.