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Information card for entry 7235293
Preview
| Coordinates | 7235293.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H32 N4 O3 S |
|---|---|
| Calculated formula | C40 H32 N4 O3 S |
| Title of publication | A novel synthesis of tetra and pentacyclic quinolinopyran tethered pyrazole/coumarin scaffolds via a solid state melt reaction |
| Authors of publication | Bakthadoss, Manickam; Kannan, Damodharan |
| Journal of publication | RSC Advances |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 23 |
| Pages of publication | 11723 |
| a | 9.6865 ± 0.0002 Å |
| b | 9.0575 ± 0.0003 Å |
| c | 38.51 ± 0.001 Å |
| α | 90° |
| β | 92.175 ± 0.002° |
| γ | 90° |
| Cell volume | 3376.26 ± 0.16 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 | 0.0737 |
| Residual factor for significantly intense reflections | 0.0505 |
| Weighted residual factors for significantly intense reflections | 0.1177 |
| Weighted residual factors for all reflections included in the refinement | 0.1301 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| 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. |
7235293.cif |
| 232666 | 2019-11-23 | cif/ Adding structures of 7235292, 7235293 via cif-deposit CGI script. |
7235293.cif |
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Users of the data should acknowledge the original authors of the
structural data.