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Information card for entry 1572162
Preview
Coordinates | 1572162.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H31 Cl Cu N |
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Calculated formula | C21 H31 Cl Cu N |
Title of publication | Streamlined synthetic assembly of α-chiral CAAC ligands and catalytic performance of their copper and ruthenium complexes. |
Authors of publication | Madron du Vigné, Adrien; Cramer, Nicolai |
Journal of publication | Chemical science |
Year of publication | 2024 |
Journal volume | 15 |
Journal issue | 34 |
Pages of publication | 13864 - 13871 |
a | 9.6227 ± 0.0003 Å |
b | 8.2304 ± 0.0003 Å |
c | 12.9158 ± 0.0003 Å |
α | 90° |
β | 98.352 ± 0.002° |
γ | 90° |
Cell volume | 1012.07 ± 0.05 Å3 |
Cell temperature | 140 ± 0.1 K |
Ambient diffraction temperature | 140 ± 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 | 0.0343 |
Residual factor for significantly intense reflections | 0.031 |
Weighted residual factors for significantly intense reflections | 0.0756 |
Weighted residual factors for all reflections included in the refinement | 0.0777 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
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 |
---|---|---|---|
294501 (current) | 2024-09-06 | cif/ Updating files of 1572161, 1572162, 1572163, 1572164, 1572165, 1572166 Original log message: Adding full bibliography for 1572161--1572166.cif. |
1572162.cif |
293532 | 2024-07-25 | cif/ Adding structures of 1572161, 1572162, 1572163, 1572164, 1572165, 1572166 via cif-deposit CGI script. |
1572162.cif |
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Users of the data should acknowledge the original authors of the
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