Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4514299
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4514299.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H18 O2 S2 |
---|---|
Calculated formula | C18 H18 O2 S2 |
Title of publication | Alternative Routes to Tricyclic Cyclohexenes with Trinuclear Palladium Complexes |
Authors of publication | Lanzi, Matteo; Cañeque, Tatiana; Marchiò, Luciano; Maggi, Raimondo; Bigi, Franca; Malacria, Max; Maestri, Giovanni |
Journal of publication | ACS Catalysis |
Year of publication | 2017 |
Journal volume | 8 |
Journal issue | 1 |
Pages of publication | 144 |
a | 18.468 ± 0.003 Å |
b | 5.7696 ± 0.0008 Å |
c | 29.486 ± 0.004 Å |
α | 90° |
β | 91.375 ± 0.002° |
γ | 90° |
Cell volume | 3140.9 ± 0.8 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296.15 K |
Number of distinct elements | 4 |
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 | 0.0491 |
Residual factor for significantly intense reflections | 0.0374 |
Weighted residual factors for significantly intense reflections | 0.0903 |
Weighted residual factors for all reflections included in the refinement | 0.0999 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4514299.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.