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Information card for entry 1200001
Preview
Coordinates | 1200001.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 8,9-Dimethoxy-10b-methyl-1-oxo-6,10b-dihydro-5H- thiazolo[2,3-a]isoquinolin-3-one |
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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 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0404 |
Residual factor for significantly intense reflections | 0.0327 |
Weighted residual factors for significantly intense reflections | 0.0939 |
Weighted residual factors for all reflections included in the refinement | 0.098 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1200001.html
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