Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4024013
Preview
Coordinates | 4024013.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | locked bridged bicyclic diselenide |
---|---|
Formula | C21 H35 N O4 S Se2 Si |
Calculated formula | C21 H35 N O4 S Se2 Si |
SMILES | [Se]1[Se][C@@H]2C[C@]1([C@@H](NS(=O)(=O)c1ccc(cc1)C)C[C@H]2O)CCO[Si](C(C)(C)C)(C)C.[Se]1[Se][C@H]2C[C@@]1([C@H](NS(=O)(=O)c1ccc(cc1)C)C[C@@H]2O)CCO[Si](C(C)(C)C)(C)C |
Title of publication | Conformationally Locked Bridged Bicyclic Diselenides: Synthesis, Structure, Se···O Interaction, and Theoretical Studies |
Authors of publication | Devarajulu Sureshkumar; Venkataraman Ganesh; Srinivasan Chandrasekaran |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2007 |
Journal volume | 72 |
Pages of publication | 5313 - 5319 |
a | 6.9359 ± 0.0007 Å |
b | 10.7681 ± 0.001 Å |
c | 17.6827 ± 0.0017 Å |
α | 99.317 ± 0.002° |
β | 92.479 ± 0.002° |
γ | 94.647 ± 0.002° |
Cell volume | 1296.8 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0753 |
Residual factor for significantly intense reflections | 0.0568 |
Weighted residual factors for significantly intense reflections | 0.1697 |
Weighted residual factors for all reflections included in the refinement | 0.1856 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
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/4024013.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.