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Information card for entry 7239171
Preview
| Coordinates | 7239171.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 1,5,5,7a-tetramethyl-3-phenyl-5,5a,6,7,7a,15,15a,15b- octahydro-3H-pyrazolo[4'',3'':5',6']pyrano[4',3':5,6] thiochromeno[2,3-b]quinoline |
|---|---|
| Formula | C30 H29 N3 O S |
| Calculated formula | C30 H29 N3 O S |
| Title of publication | A glycerol mediated domino reaction: an efficient, green synthesis of polyheterocycles incorporating a new thiochromeno[2,3-b]quinoline unit |
| Authors of publication | Parmar, Narsidas J.; Barad, Hitesh A.; Labana, Balvantsingh M.; Kant, Rajni; Gupta, Vivek K. |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 43 |
| Pages of publication | 20719 |
| a | 10.3294 ± 0.0002 Å |
| b | 14.8602 ± 0.0004 Å |
| c | 19.1562 ± 0.0004 Å |
| α | 90° |
| β | 122.631 ± 0.001° |
| γ | 90° |
| Cell volume | 2476.3 ± 0.1 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0603 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.0979 |
| Weighted residual factors for all reflections included in the refinement | 0.1053 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7239171.cif |
| 244581 | 2019-11-28 | cif/ Adding structures of 7239171 via cif-deposit CGI script. |
7239171.cif |
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Users of the data should acknowledge the original authors of the
structural data.