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Information card for entry 1559260
Preview
| Coordinates | 1559260.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Benzothiazolo[2,3-a]isoindolone |
|---|---|
| Formula | C27 H23 N O S |
| Calculated formula | C27 N O S |
| SMILES | S1c2ccccc2N2C(=O)[C@@H]3[C@@H]4[C@H](C[C@H]([C@@H]3[C@@]12c1ccccc1)C4)c1ccccc1.S1c2ccccc2N2C(=O)[C@H]3[C@H]4[C@@H](C[C@@H]([C@H]3[C@]12c1ccccc1)C4)c1ccccc1 |
| Title of publication | X-Ray Study of a Pentacyclic Partially Saturated Benzothiazolo[2,3-a]isoindolone |
| Authors of publication | Pihlaja, Kalevi; Sillanpaa, Reijo; Stajer, Geza; Frimpong-Manso, Samuel |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1992 |
| Journal volume | 46 |
| Pages of publication | 1021 - 1023 |
| a | 13.949 ± 0.004 Å |
| b | 10.691 ± 0.003 Å |
| c | 15.203 ± 0.003 Å |
| α | 90° |
| β | 110 ± 0.02° |
| γ | 90° |
| Cell volume | 2130.5 ± 1 Å3 |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.051 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257174 (current) | 2020-10-05 | cif/ Adding structures of 1559260 via cif-deposit CGI script. |
1559260.cif |
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Users of the data should acknowledge the original authors of the
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