Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7027961
Preview
Coordinates | 7027961.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 2,4-(naphthalene-1,8-diyl)-3-trimethyl silyl-1,3,2,4-thiazadiphosphetidine-2,4- disulfide |
---|---|
Formula | C13 H15 N P2 S3 Si |
Calculated formula | C13 H15 N P2 S3 Si |
SMILES | S=P12SP(=S)(N1[Si](C)(C)C)c1c3c2cccc3ccc1 |
Title of publication | New P‒S‒N containing ring systems. Reaction of 2,4-(naphthalene-1,8-diyl)-1,3,2,4-dithiadiphosphetane 2,4-disulfide and its 4-methoxynaphthalene derivative with hexamethyldisilazane |
Authors of publication | Kilián, Petr; Marek, Jaromír; Marek, Radek; Tou·ín, Jiøí; Humpa, Otakar; Novosad, Josef; Woollins, J. Derek |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1998 |
Journal issue | 7 |
Pages of publication | 1175 |
a | 8.9437 ± 0.0015 Å |
b | 11.49 ± 0.002 Å |
c | 17.165 ± 0.004 Å |
α | 76.08 ± 0.02° |
β | 89.74 ± 0.02° |
γ | 87.545 ± 0.015° |
Cell volume | 1710.5 ± 0.6 Å3 |
Cell temperature | 150 ± 0.1 K |
Ambient diffraction temperature | 150 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0492 |
Residual factor for significantly intense reflections | 0.0391 |
Weighted residual factors for significantly intense reflections | 0.1138 |
Weighted residual factors for all reflections included in the refinement | 0.1242 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.884 |
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/7027961.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.