Information card for entry 7123327
| Formula |
C40 H41 Ir N4 O3 |
| Calculated formula |
C40 H41 Ir N4 O3 |
| Title of publication |
A kinetic resolution strategy for the synthesis of chiral octahedral NHC-iridium(III) catalysts |
| Authors of publication |
Basle, Olivier; Mauduit, Marc; Crassous, Jeanne; Favereau, Ludovic; Miqueu, Karinne; crevisy, C; Dorcet, Vincent; Roisnel, Thierry; Vivès, Thomas; Tarrieu, Robert; Pichon, Delphine; Manguin, Romane |
| Journal of publication |
Chemical Communications |
| Year of publication |
2019 |
| a |
9.2852 ± 0.0006 Å |
| b |
15.2175 ± 0.0012 Å |
| c |
24.7997 ± 0.0019 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
3504.1 ± 0.4 Å3 |
| Cell temperature |
150 K |
| Ambient diffraction temperature |
150 K |
| Number of distinct elements |
5 |
| Space group number |
19 |
| Hermann-Mauguin space group symbol |
P 21 21 21 |
| Hall space group symbol |
P 2ac 2ab |
| Residual factor for all reflections |
0.0504 |
| Residual factor for significantly intense reflections |
0.0346 |
| Weighted residual factors for significantly intense reflections |
0.0539 |
| Weighted residual factors for all reflections included in the refinement |
0.0578 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.958 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7123327.html
