Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8106477
Preview
Coordinates | 8106477.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H34 Br N3 S |
---|---|
Calculated formula | C28 H34 Br N3 S |
Title of publication | Crystal structure of 4-bromobenzyl (Z)-N′-(adamantan-1-yl)-4-phenylpiperazine-1-carbothioimidate, C28H34BrN3S |
Authors of publication | Al-Wahaibi, Lamya H.; Hassan, Hanan M.; Abo-Kamar, Amal M.; Ghabbour, Hazem A.; El-Emam, Ali A. |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2017 |
Journal volume | 232 |
Journal issue | 2 |
Pages of publication | 189 - 191 |
a | 10.4529 ± 0.0008 Å |
b | 11.8724 ± 0.001 Å |
c | 21.38 ± 0.0019 Å |
α | 90° |
β | 101.864 ± 0.003° |
γ | 90° |
Cell volume | 2596.6 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1332 |
Residual factor for significantly intense reflections | 0.0601 |
Weighted residual factors for significantly intense reflections | 0.1233 |
Weighted residual factors for all reflections included in the refinement | 0.1479 |
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 | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/8106477.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.