Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4519063
Preview
Coordinates | 4519063.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H26 N2 O2 |
---|---|
Calculated formula | C28 H26 N2 O2 |
Title of publication | Cobalt(III)-Catalyzed Diastereo- and Enantioselective Three-Component C–H Functionalization |
Authors of publication | Herraiz, Ana G.; Cramer, Nicolai |
Journal of publication | ACS Catalysis |
Year of publication | 2021 |
Journal volume | 11 |
Journal issue | 19 |
Pages of publication | 11938 - 11944 |
a | 8.18927 ± 0.00008 Å |
b | 12.80314 ± 0.0001 Å |
c | 10.83576 ± 0.00009 Å |
α | 90° |
β | 97.8768 ± 0.0008° |
γ | 90° |
Cell volume | 1125.39 ± 0.017 Å3 |
Cell temperature | 140 ± 0.1 K |
Ambient diffraction temperature | 140 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0273 |
Residual factor for significantly intense reflections | 0.0268 |
Weighted residual factors for significantly intense reflections | 0.0682 |
Weighted residual factors for all reflections included in the refinement | 0.0687 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
269485 (current) | 2021-10-03 | cif/ Adding structures of 4519063 via cif-deposit CGI script. |
4519063.cif |
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.