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Information card for entry 7039689
Preview
| Coordinates | 7039689.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H29 N O3 |
|---|---|
| Calculated formula | C19 H29 N O3 |
| SMILES | O(C(=O)N1CCC(O)(CC1)c1c(cc(cc1C)C)C)C(C)(C)C |
| Title of publication | The use of organolithium reagents for the synthesis of 4-aryl-2-phenylpyridines and their corresponding iridium(iii) complexes. |
| Authors of publication | Davidson, Ross; Hsu, Yu-Ting; Batchelor, Thomas; Yufit, Dmitry; Beeby, Andrew |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 28 |
| Pages of publication | 11496 - 11507 |
| a | 11.454 ± 0.0008 Å |
| b | 20.9192 ± 0.0015 Å |
| c | 22.0993 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5295.2 ± 0.7 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 4 |
| 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 | 0.0844 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for significantly intense reflections | 0.1005 |
| Weighted residual factors for all reflections included in the refinement | 0.1112 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7039689.cif |
| 185493 | 2016-08-07 | cif/ Updating files of 7039689, 7039690, 7039691, 7039692, 7039693, 7039694 Original log message: Adding full bibliography for 7039689--7039694.cif. |
7039689.cif |
| 184000 | 2016-06-28 | cif/ Adding structures of 7039689, 7039690, 7039691, 7039692, 7039693, 7039694 via cif-deposit CGI script. |
7039689.cif |
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Users of the data should acknowledge the original authors of the
structural data.