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Information card for entry 7118484
Preview
| Coordinates | 7118484.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 3',5'-Diethyl-2,2':6',2''-terpyridine |
|---|---|
| Formula | C19 H21 N3 |
| Calculated formula | C19 H21 N3 |
| SMILES | c1(c2c(cc(c(c3ccccn3)n2)CC)CC)ccccn1 |
| Title of publication | Rhodium-catalyzed selective CH functionalization of NNN tridentate chelating compounds via a rollover pathway. |
| Authors of publication | Hong, Seung Youn; Kwak, Jaesung; Chang, Sukbok |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 15 |
| Pages of publication | 3159 - 3162 |
| a | 21.0859 ± 0.0012 Å |
| b | 8.8941 ± 0.0005 Å |
| c | 8.6908 ± 0.0005 Å |
| α | 90° |
| β | 110.448 ± 0.0018° |
| γ | 90° |
| Cell volume | 1527.18 ± 0.15 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0611 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.1442 |
| Weighted residual factors for all reflections included in the refinement | 0.1534 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 177649 (current) | 2016-03-05 | cif/ Updating files of 7118484, 7118485 Original log message: Adding full bibliography for 7118484--7118485.cif. |
7118484.cif |
| 174553 | 2016-01-19 | cif/ Adding structures of 7118484, 7118485 via cif-deposit CGI script. |
7118484.cif |
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Users of the data should acknowledge the original authors of the
structural data.