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CIF Information Card
Information card for 1200001
1200000 << 1200001 >> 1200002Preview
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Coordinates |
1200001.cif |
Structure parameters
| Chemical name | 8,9-Dimethoxy-10b-methyl-1-oxo-6,10b-dihydro-5H- thiazolo[2,3-a]isoquinolin-3-one |
| Formula | - C14 H17 N O4 S - |
| Calculated formula | - C14 H17 N O4 S - |
| Title of publication | Two dihydro-5H-thiazolinono[2,3-a]isoquinoline S-oxides |
| Authors of publication | Gzella, Andrzej; Rozwadowska, Maria D.; Sulima, Agnieszka |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 12 |
| Pages of publication | 1454 - 1456 |
| a | 15.9407 ± 0.0015 Å |
| b | 9.1737 ± 0.001 Å |
| c | 19.015 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2780.7 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P b c a |
| Residual factor for all reflections | 0.0404 |
| Residual factor for observed reflections | 0.0327 |
| Weighted residual factors for the observed reflections | 0.0939 |
| Weighted residual factors for all reflections included in the refinement | 0.098 |
| Goodness-of-fit parameter for observed reflections | 1.064 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |