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Information card for entry 2009123
Preview
| Coordinates | 2009123.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C18 H15 N O2 S |
|---|---|
| Calculated formula | C18 H15 N O2 S |
| SMILES | S1(=O)C(CC(=O)n2c3ccccc3cc2)c2ccccc2C1 |
| Title of publication | 1-[(1,3-Dihydro-2-benzothienyl)acetyl]-1<i>H</i>-indole <i>S</i>-oxide |
| Authors of publication | Luck, Rudy L.; Bates, Dallas K.; Li, Kexue; Xia, Mingde |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 11 |
| Pages of publication | 1873 - 1874 |
| a | 4.963 ± 0.001 Å |
| b | 10.458 ± 0.002 Å |
| c | 28.31 ± 0.004 Å |
| α | 90° |
| β | 94.716 ± 0.016° |
| γ | 90° |
| Cell volume | 1464.4 ± 0.5 Å3 |
| Cell 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 significantly intense reflections | 0.035 |
| Weighted residual factors for all reflections included in the refinement | 0.104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71069 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.