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Information card for entry 7124819
Preview
| Coordinates | 7124819.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 6,6'-Di-tert-butyl-2,2'-biquinoline |
|---|---|
| Formula | C26 H28 N2 |
| Calculated formula | C26 H28 N2 |
| Title of publication | Mechanistic insights into the potassium tert-butoxide-mediated synthesis of N-heterobiaryls. |
| Authors of publication | Stephens, David E.; Lakey-Beitia, Johant; Burch, Jessica E.; Arman, Hadi D.; Larionov, Oleg V. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 64 |
| Pages of publication | 9945 - 9948 |
| a | 18.301 ± 0.011 Å |
| b | 6.133 ± 0.003 Å |
| c | 18.738 ± 0.011 Å |
| α | 90° |
| β | 94.032 ± 0.006° |
| γ | 90° |
| Cell volume | 2098 ± 2 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.076 |
| Residual factor for significantly intense reflections | 0.0634 |
| Weighted residual factors for significantly intense reflections | 0.1402 |
| Weighted residual factors for all reflections included in the refinement | 0.1458 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7124819.cif |
| 234256 | 2019-11-23 | cif/ Adding structures of 7124813, 7124814, 7124815, 7124816, 7124817, 7124818, 7124819, 7124820 via cif-deposit CGI script. |
7124819.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.