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Information card for entry 7155004
Preview
| Coordinates | 7155004.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H26 N O4 P |
|---|---|
| Calculated formula | C28 H26 N O4 P |
| SMILES | P1(=O)(OCC(CO1)(C)C)C(c1ccccc1)(c1nc2c(cc1)cccc2)C(=O)c1ccccc1 |
| Title of publication | Base catalysed intermolecular cyclisation of N-protected o-amino benzaldehyde/acetophenone with phosphorus/sulphur based allenes: facile synthesis of substituted quinolines. |
| Authors of publication | Anitha, Mandala; Gangadhararao, G.; Kumara Swamy, K. C. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2016 |
| Journal volume | 14 |
| Journal issue | 14 |
| Pages of publication | 3591 - 3602 |
| a | 12.282 ± 0.003 Å |
| b | 8.937 ± 0.0018 Å |
| c | 22.179 ± 0.004 Å |
| α | 90° |
| β | 92.6 ± 0.03° |
| γ | 90° |
| Cell volume | 2432 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0712 |
| Residual factor for significantly intense reflections | 0.0573 |
| Weighted residual factors for significantly intense reflections | 0.1269 |
| Weighted residual factors for all reflections included in the refinement | 0.1337 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.156 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7155004.cif |
| 181801 | 2016-04-05 | cif/ Updating files of 7155004, 7155005, 7155006, 7155007, 7155008, 7155009, 7155010 Original log message: Adding full bibliography for 7155004--7155010.cif. |
7155004.cif |
| 177279 | 2016-03-04 | cif/ Adding structures of 7155004, 7155005, 7155006, 7155007, 7155008, 7155009, 7155010 via cif-deposit CGI script. |
7155004.cif |
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Users of the data should acknowledge the original authors of the
structural data.