Information card for entry 1200001

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 ų
• 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