Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4133034
Preview
Coordinates | 4133034.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C88 H72 F4 N4 O4 |
---|---|
Calculated formula | C88 H72 F4 N4 O4 |
Title of publication | Diastereoselective Allylation of Aldehydes by Dual Photoredox and Chromium Catalysis. |
Authors of publication | Schwarz, J. Luca; Schäfers, Felix; Tlahuext-Aca, Adrian; Lückemeier, Lukas; Glorius, Frank |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2018 |
Journal volume | 140 |
Journal issue | 40 |
Pages of publication | 12705 - 12709 |
a | 11.0154 ± 0.0002 Å |
b | 17.1376 ± 0.0004 Å |
c | 19.6952 ± 0.0004 Å |
α | 100.319 ± 0.001° |
β | 106.005 ± 0.001° |
γ | 91.226 ± 0.001° |
Cell volume | 3506.22 ± 0.13 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0727 |
Residual factor for significantly intense reflections | 0.05 |
Weighted residual factors for significantly intense reflections | 0.1064 |
Weighted residual factors for all reflections included in the refinement | 0.1166 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4133034.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.