Information card for entry 7202576

Structure parameters

• Formula: C20 H18 N2 O4 S3
• Calculated formula: C20 H18 N2 O4 S3
• SMILES: s1c(/N=C/c2sccc2)c(c(c1/N=C/c1sccc1)C(=O)OCC)C(=O)OCC
• Title of publication: Photophysical, crystallographic, and electrochemical characterization of novel conjugated thiopheno azomethines
• Authors of publication: Marie Bourgeaux; Sergio Andrés Pérez Guarìn; W. G. Skene
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2007
• Journal volume: 17
• Journal issue: 10
• Pages of publication: 972
• a: 17.039 ± 0.005 Å
• b: 18.642 ± 0.008 Å
• c: 13.69 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4349 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 0.705
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No