Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7152653
Preview
Coordinates | 7152653.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H N2 O4 Se |
---|---|
Calculated formula | C28 H21.5 N2 O4 Se |
SMILES | [Se](c1c(cccc1)C(=O)Nc1cc(ccc1)OC)c1ccccc1C(=O)Nc1cccc(OC)c1 |
Title of publication | Spirodiazaselenuranes: synthesis, structure and antioxidant activity. |
Authors of publication | Lamani, Devappa S.; Bhowmick, Debasish; Mugesh, Govindasamy |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2012 |
Journal volume | 10 |
Journal issue | 39 |
Pages of publication | 7933 - 7943 |
a | 10.1344 ± 0.0003 Å |
b | 10.3521 ± 0.0003 Å |
c | 12.1801 ± 0.0004 Å |
α | 82.512 ± 0.002° |
β | 78.896 ± 0.002° |
γ | 79.956 ± 0.002° |
Cell volume | 1228.5 ± 0.07 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0761 |
Residual factor for significantly intense reflections | 0.0429 |
Weighted residual factors for significantly intense reflections | 0.1011 |
Weighted residual factors for all reflections included in the refinement | 0.1155 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
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/7152653.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.