Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7056846
Preview
Coordinates | 7056846.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Dioxime (4c) |
---|---|
Chemical name | Dioxime (4c) |
Formula | C3 H8 N4 O2 |
Calculated formula | C3 H8 N4 O2 |
SMILES | C(N)(/C/C(N)=N/O)=N\O |
Title of publication | 3-Amino-1,2,4(4H)-oxadiazol-5-one (AOD) and its nitrogen-rich salts: a class of insensitive energetic materials |
Authors of publication | Kumar, A. Sudheer; Sasidharan, Nimesh; Ganguly, Rakesh; Leow, Dasheng; Hng, Huey Hoon |
Journal of publication | New Journal of Chemistry |
Year of publication | 2018 |
Journal volume | 42 |
Journal issue | 3 |
Pages of publication | 1840 |
a | 8.5972 ± 0.0003 Å |
b | 9.4798 ± 0.0003 Å |
c | 14.2271 ± 0.0005 Å |
α | 90° |
β | 96.2613 ± 0.0013° |
γ | 90° |
Cell volume | 1152.59 ± 0.07 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0589 |
Residual factor for significantly intense reflections | 0.0474 |
Weighted residual factors for significantly intense reflections | 0.119 |
Weighted residual factors for all reflections included in the refinement | 0.132 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
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/7056846.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.