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Information card for entry 7238966
Preview
| Coordinates | 7238966.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H11 N3 S |
|---|---|
| Calculated formula | C15 H11 N3 S |
| Title of publication | Organocatalyzed straightforward synthesis of highly fluorescent 3,5-disubstituted 2,6-dicyanoanilines via domino annulation of α-enolicdithioesters with malononitrile |
| Authors of publication | Ramulu, B. Janaki; Chanda, Tanmoy; Chowdhury, Sushobhan; Nandi, Ganesh C.; Singh, Maya Shankar |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 16 |
| Pages of publication | 5345 |
| a | 8.5763 ± 0.0004 Å |
| b | 11.3553 ± 0.0005 Å |
| c | 14.2144 ± 0.0007 Å |
| α | 88.862 ± 0.004° |
| β | 73.88 ± 0.004° |
| γ | 85.889 ± 0.004° |
| Cell volume | 1326.44 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0642 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.093 |
| Weighted residual factors for all reflections included in the refinement | 0.1043 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| 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. |
7238966.cif |
| 244482 | 2019-11-28 | cif/ Adding structures of 7238966 via cif-deposit CGI script. |
7238966.cif |
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Users of the data should acknowledge the original authors of the
structural data.