Information card for entry 2004835

Structure parameters

• Formula: C18 H17 N O5 S
• Calculated formula: C18 H17 N O5 S
• Title of publication: <i>cis</i>-(±)-3-Acetoxy-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine 1-Oxide
• Authors of publication: Kumaradhas, P.; Nirmala, K. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1259 - 1261
• a: 8.2 ± 0.008 Å
• b: 13.326 ± 0.009 Å
• c: 32.093 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3507 ± 4 ų
• Cell temperature: 294 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P b c a
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1374
• Goodness-of-fit parameter for significantly intense reflections: 1.205
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No