Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 1000021
1000020 << 1000021 >> 1000022Preview
|
Coordinates |
1000021.cif |
Structure parameters
| Chemical name | 8,9-Dimethoxy-6,10b-dihydro-1-oxo-5H-thiazolo[2,3-a]isoquinolin-3-one |
| Formula | - C13 H15 N O4 S - |
| Calculated formula | - C13 H15 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 | 19.967 ± 0.002 Å |
| b | 7.5484 ± 0.0009 Å |
| c | 9.1666 ± 0.0013 Å |
| α | 90° |
| β | 102.967 ± 0.011° |
| γ | 90° |
| Cell volume | 1346.3 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.0641 |
| Residual factor for observed reflections | 0.0499 |
| Weighted residual factors for the observed reflections | 0.1464 |
| Weighted residual factors for all reflections included in the refinement | 0.1583 |
| Goodness-of-fit parameter for observed reflections | 1.044 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |