Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1573994
Preview
Coordinates | 1573994.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C55 H57 Co F3 N2 O2 P3 |
---|---|
Calculated formula | C47 H41 Co F3 N2 P3 |
Title of publication | Efficient and selective hydroboration of alkenes catalyzed by an air-stable (PP<sup>CF3</sup>P)CoI<sub>2</sub> precatalyst. |
Authors of publication | Fitzsimmons, Matthew C.; Seith, Maria C.; Moore, Curtis E.; Thomas, Christine M. |
Journal of publication | Chemical science |
Year of publication | 2025 |
Journal volume | 16 |
Journal issue | 13 |
Pages of publication | 5717 - 5725 |
a | 24.0754 ± 0.0015 Å |
b | 12.3634 ± 0.0008 Å |
c | 34.026 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 10128 ± 1.1 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 7 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0719 |
Residual factor for significantly intense reflections | 0.0451 |
Weighted residual factors for significantly intense reflections | 0.0911 |
Weighted residual factors for all reflections included in the refinement | 0.0986 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Diffraction radiation X-ray symbol | K-L~3~ |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
298798 (current) | 2025-04-05 | cif/ Updating files of 1573992, 1573993, 1573994 Original log message: Adding full bibliography for 1573992--1573994.cif. |
1573994.cif |
297884 | 2025-02-27 | cif/ Adding structures of 1573992, 1573993, 1573994 via cif-deposit CGI script. |
1573994.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.