Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4131222
Preview
Coordinates | 4131222.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H22 N O2 P |
---|---|
Calculated formula | C34 H22 N O2 P |
Title of publication | Study of Intermediates in Iridium-(Phosphoramidite,Olefin)-Catalyzed Enantioselective Allylic Substitution. |
Authors of publication | Rössler, Simon L; Krautwald, Simon; Carreira, Erick M. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 10 |
Pages of publication | 3603 - 3606 |
a | 12.0233 ± 0.0001 Å |
b | 7.5855 ± 0.0001 Å |
c | 13.9981 ± 0.0001 Å |
α | 90° |
β | 96.03 ± 0.001° |
γ | 90° |
Cell volume | 1269.6 ± 0.02 Å3 |
Cell temperature | 173.2 ± 0.1 K |
Ambient diffraction temperature | 173.2 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0236 |
Residual factor for significantly intense reflections | 0.0233 |
Weighted residual factors for significantly intense reflections | 0.0627 |
Weighted residual factors for all reflections included in the refinement | 0.063 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 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/4131222.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.