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Information card for entry 7219493
Preview
| Coordinates | 7219493.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2-phenyl-11-tosyl-11,11a-dihydro-1H,5H-[1,2,4]triazolo[1',2':1,2]pyridazino[3,4-b]indole-1,3(2H)-dione |
|---|---|
| Formula | C25.5 H21 Cl N4 O4 S |
| Calculated formula | C25.5 H21 Cl N4 O4 S |
| SMILES | S(=O)(=O)(N1c2ccccc2C2=CCN3N(C12)C(=O)N(C3=O)c1ccccc1)c1ccc(cc1)C.ClCCl |
| Title of publication | Diastereoselective synthesis of functionalised carbazoles via a sequential Diels‒Alder/ene reaction strategy |
| Authors of publication | Cowell, Joseph; Abualnaja, Matokah; Morton, Stephanie; Linder, Ruth; Buckingham, Faye; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J. |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| Journal volume | 5 |
| Journal issue | 21 |
| Pages of publication | 16125 |
| a | 6.2586 ± 0.0002 Å |
| b | 43.8481 ± 0.0009 Å |
| c | 17.0987 ± 0.0003 Å |
| α | 90° |
| β | 93.143 ± 0.002° |
| γ | 90° |
| Cell volume | 4685.3 ± 0.2 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| 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 | 0.0702 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.144 |
| Weighted residual factors for all reflections included in the refinement | 0.1527 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7219493.cif |
| 131179 | 2015-02-05 | cif/ Adding structures of 7219490, 7219491, 7219492, 7219493, 7219494, 7219495, 7219496 via cif-deposit CGI script. |
7219493.cif |
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Users of the data should acknowledge the original authors of the
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