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Information card for entry 2007031
Preview
| Coordinates | 2007031.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C30 H26 N2 O4 S2 |
|---|---|
| Calculated formula | C30 H26 N2 O4 S2 |
| SMILES | S(=O)(=O)(n1c2ccccc2c2c1CN(S(=O)(=O)c1ccccc1)CC2Cc1ccccc1)c1ccccc1 |
| Title of publication | 4-Benzyl-2,9-bis(phenylsulfonyl)-1,2,3,4-tetrahydro-9<i>H</i>-β-carboline |
| Authors of publication | Govindasamy, Lakashmanan; Velmurugan, D.; Ravikumar, K.; Mohanakrishnan, A. K. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 2 |
| Pages of publication | 277 - 279 |
| a | 10.184 ± 0.001 Å |
| b | 10.941 ± 0.001 Å |
| c | 13.441 ± 0.001 Å |
| α | 84.8 ± 0.02° |
| β | 67.94 ± 0.02° |
| γ | 82.65 ± 0.02° |
| Cell volume | 1375.1 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.133 |
| Residual factor for significantly intense reflections | 0.061 |
| Weighted residual factors for all reflections | 0.192 |
| Weighted residual factors for significantly intense reflections | 0.143 |
| Goodness-of-fit parameter for all reflections | 0.963 |
| Goodness-of-fit parameter for significantly intense reflections | 0.997 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.