Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4122853
Preview
Coordinates | 4122853.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H41 N O |
---|---|
Calculated formula | C34 H41 N O |
SMILES | O(c1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2CN(Cc1ccccc1)Cc1ccccc1)C)C |
Title of publication | Enantioselective CuH-Catalyzed Anti-Markovnikov Hydroamination of 1,1-Disubstituted Alkenes. |
Authors of publication | Zhu, Shaolin; Buchwald, Stephen L. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Pages of publication | 141029103858000 |
a | 6.7128 ± 0.0002 Å |
b | 9.2273 ± 0.0004 Å |
c | 22.4255 ± 0.0009 Å |
α | 86.47 ± 0.002° |
β | 83.099 ± 0.0014° |
γ | 89.5329 ± 0.0017° |
Cell volume | 1376.38 ± 0.09 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0309 |
Residual factor for significantly intense reflections | 0.0305 |
Weighted residual factors for significantly intense reflections | 0.0838 |
Weighted residual factors for all reflections included in the refinement | 0.0841 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4122853.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.