Information card for entry 2007508

Structure parameters

• Formula: C19 H19 N O5 S3
• Calculated formula: C19 H19 N O5 S3
• SMILES: S1C(C(=O)N(C1=S)CC(=O)O)=Cc1ccc2ccccc2c1OC.S(C)(=O)C
• Title of publication: (<i>Z</i>)-5-(1-Methoxy-2-naphthylmethylene)-4-oxo-2-thioxo-1,3-thiazolidine-3-acetic Acid Dimethyl Sulfoxide Solvate
• Authors of publication: TranQui, Duc; Fresneau, Pierre; Cussac, Max
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 1152 - 1154
• a: 34.201 ± 0.005 Å
• b: 5.219 ± 0.002 Å
• c: 23.179 ± 0.004 Å
• α: 90°
• β: 98.57 ± 0.05°
• γ: 90°
• Cell volume: 4091.1 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections: 0.121
• Weighted residual factors for significantly intense reflections: 0.118
• Goodness-of-fit parameter for all reflections: 1.128
• Goodness-of-fit parameter for significantly intense reflections: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No