Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1543655
Preview
Coordinates | 1543655.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H19 Au Cl N3 O2 S |
---|---|
Calculated formula | C21 H19 Au Cl N3 O2 S |
SMILES | [Au](Cl)c1c([n+](nn1Cc1ccccc1)C)S(=O)c1c(ccc2ccccc12)OC |
Title of publication | Gold Sulfinyl Mesoionic Carbenes: Synthesis, Structure, and Catalytic Activity. |
Authors of publication | Frutos, María; Avello, Marta G.; Viso, Alma; Fernández de la Pradilla, Roberto; de la Torre, María C; Sierra, Miguel A.; Gornitzka, Heinz; Hemmert, Catherine |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 15 |
Pages of publication | 3570 - 3573 |
a | 7.2343 ± 0.0005 Å |
b | 11.0385 ± 0.0007 Å |
c | 26.4489 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2112.1 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.047 |
Residual factor for significantly intense reflections | 0.0305 |
Weighted residual factors for significantly intense reflections | 0.0512 |
Weighted residual factors for all reflections included in the refinement | 0.0549 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
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/1543655.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.