Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7242173
Preview
| Coordinates | 7242173.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H29 N30 O11.5 |
|---|---|
| Calculated formula | C16 H29 N30 O11.5 |
| Title of publication | Sandwich-like low-sensitive nitroamine explosives stabilized by hydrogen bonds and π‒π stacking interactions |
| Authors of publication | Cheng, Yanfei; Chen, Xiang; Yang, Na; Zhang, Yazhou; Ma, Haixia; Guo, Zhaoqi |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 9 |
| Pages of publication | 1953 - 1960 |
| a | 21.16 ± 0.05 Å |
| b | 13.182 ± 0.009 Å |
| c | 11.89 ± 0.02 Å |
| α | 90° |
| β | 105.45 ± 0.18° |
| γ | 90° |
| Cell volume | 3197 ± 10 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 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 | 0.1039 |
| Residual factor for significantly intense reflections | 0.0769 |
| Weighted residual factors for significantly intense reflections | 0.2011 |
| Weighted residual factors for all reflections included in the refinement | 0.2248 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 1.34138 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263724 (current) | 2021-04-05 | cif/ Updating files of 7242172, 7242173 Original log message: Adding full bibliography for 7242172--7242173.cif. |
7242173.cif |
| 261249 | 2021-01-27 | cif/ Adding structures of 7242172, 7242173 via cif-deposit CGI script. |
7242173.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.