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Information card for entry 4123423
Preview
| Coordinates | 4123423.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H33 N O |
|---|---|
| Calculated formula | C33 H33 N O |
| SMILES | C(=N\c1ccc(cc1)OC)(\C)c1ccc(cc1C(=C\c1ccccc1)/c1ccccc1)C(C)(C)C |
| Title of publication | C-h activation/functionalization catalyzed by simple, well-defined low-valent cobalt complexes. |
| Authors of publication | Fallon, Brendan J.; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Chemla, Fabrice; Ferreira, Franck; Perez-Luna, Alejandro; Petit, Marc |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 7 |
| Pages of publication | 2448 - 2451 |
| a | 16.1203 ± 0.0006 Å |
| b | 22.1653 ± 0.0008 Å |
| c | 7.4539 ± 0.0002 Å |
| α | 90° |
| β | 99.215 ± 0.002° |
| γ | 90° |
| Cell volume | 2628.99 ± 0.15 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0903 |
| Residual factor for significantly intense reflections | 0.0721 |
| Weighted residual factors for all reflections | 0.2136 |
| Weighted residual factors for significantly intense reflections | 0.1919 |
| Weighted residual factors for all reflections included in the refinement | 0.2124 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0559 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4123423.cif |
| 132889 | 2015-03-04 | cif/ Updating files of 4123423, 4123424, 4123425, 4123426, 4123427, 4123428, 4123429 Original log message: Adding full bibliography for 4123423--4123429.cif. |
4123423.cif |
| 131656 | 2015-02-11 | cif/ Adding structures of 4123423 via cif-deposit CGI script. |
4123423.cif |
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Users of the data should acknowledge the original authors of the
structural data.