Information card for entry 2007739

Structure parameters

• Formula: C18 H17 N O4 S3
• Calculated formula: C18 H17 N O4 S3
• SMILES: OC(=O)CN1C(=S)S/C(=C\c2ccc3c(c2)cccc3)C1=O.CS(=O)C
• Title of publication: (<i>Z</i>)-5-(2-Naphthylmethylene)-4-oxo-2-thioxo-1,3-thiazolidine-3-acetic Acid Dimethyl Sulfoxide Solvate
• Authors of publication: D.TranQui; P. Fresneau; M.Cussac
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1501 - 1503
• a: 7.32 ± 0.005 Å
• b: 8.307 ± 0.005 Å
• c: 16.399 ± 0.005 Å
• α: 81.23 ± 0.05°
• β: 98.52 ± 0.05°
• γ: 104.46 ± 0.05°
• Cell volume: 948 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections: 0.137
• Weighted residual factors for significantly intense reflections: 0.1
• Goodness-of-fit parameter for all reflections: 0.974
• Goodness-of-fit parameter for significantly intense reflections: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No