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Information card for entry 2011006
Preview
| Coordinates | 2011006.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C21 H21 N3 O4 S |
|---|---|
| Calculated formula | C21 H21 N3 O4 S |
| SMILES | S(=O)(=O)(N[C@H]1CC[C@H](c2c1[nH]c(c2)C=O)c1[nH]c(cc1)C=O)c1ccc(cc1)C.S(=O)(=O)(N[C@@H]1CC[C@@H](c2c1[nH]c(c2)C=O)c1[nH]c(cc1)C=O)c1ccc(cc1)C |
| Title of publication | The conversion of a pyrrole trimer derivative into a 4,5,6,7-tetrahydro-4-(pyrrol-2-yl)indol-7-yltosylaminoindole |
| Authors of publication | Zhao, Yuekun; Helliwell, Madeleine; Joule, John A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 6 |
| Pages of publication | 714 - 715 |
| a | 11.788 ± 0.002 Å |
| b | 6.6204 ± 0.0016 Å |
| c | 25.057 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1955.5 ± 0.6 Å3 |
| Cell temperature | 293.2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0452 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for all reflections included in the refinement | 0.1071 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.