Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1553180
Preview
Coordinates | 1553180.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H18 |
---|---|
Calculated formula | C26 H18 |
SMILES | c1(c2ccccc2c(c2ccccc12)c1ccccc1)c1ccccc1 |
Title of publication | Pincer CNC bis-N-heterocyclic carbenes: robust ligands for palladium-catalysed Suzuki‒Miyaura arylation of bromoanthracene and related substrates |
Authors of publication | Zende, V. M.; Schulzke, C.; Kapdi, A. R. |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2015 |
Journal volume | 2 |
Journal issue | 10 |
Pages of publication | 1397 |
a | 10.596 ± 0.002 Å |
b | 13.501 ± 0.003 Å |
c | 12.12 ± 0.002 Å |
α | 90° |
β | 90.38 ± 0.03° |
γ | 90° |
Cell volume | 1733.8 ± 0.6 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 ± 2 K |
Number of distinct elements | 2 |
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 | 0.0521 |
Residual factor for significantly intense reflections | 0.0447 |
Weighted residual factors for significantly intense reflections | 0.1214 |
Weighted residual factors for all reflections included in the refinement | 0.127 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
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/1553180.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.