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Information card for entry 7155964
Preview
| Coordinates | 7155964.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H31 N3 O3 |
|---|---|
| Calculated formula | C25 H31 N3 O3 |
| SMILES | O(C1N(C(=O)c2nc3c(cc(C)cc3)cc12)C1CCCCC1)C(=O)NC1CCCCC1 |
| Title of publication | Palladium-catalyzed tandem reaction of 2-chloroquinoline-3-carbaldehydes and isocyanides |
| Authors of publication | Shiri, Morteza; Ranjbar, Maryam; Yasaei, Zahra; Zamanian, Fatemeh; Notash, Behrouz |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2017 |
| a | 8.7851 ± 0.0018 Å |
| b | 10.557 ± 0.002 Å |
| c | 13.269 ± 0.003 Å |
| α | 100.21 ± 0.03° |
| β | 97.69 ± 0.03° |
| γ | 111.07 ± 0.03° |
| Cell volume | 1103.7 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2494 |
| Residual factor for significantly intense reflections | 0.0818 |
| Weighted residual factors for significantly intense reflections | 0.1272 |
| Weighted residual factors for all reflections included in the refinement | 0.1729 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.814 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203033 (current) | 2017-11-10 | cif/ Adding structures of 7155964, 7155965 via cif-deposit CGI script. |
7155964.cif |
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Users of the data should acknowledge the original authors of the
structural data.