Information card for entry 1515958

Structure parameters

• Formula: C23 H16 N2 S2
• Calculated formula: C23 H16 N2 S2
• SMILES: s1cccc1/C=N/c1ccc2c3c(Cc2c1)cc(/N=C/c1sccc1)cc3
• Title of publication: Conjugated fluorene-thiophenes prepared from azomethine connections. Part I. The effect of electronic and aryl groups on the spectroscopic and electrochemical properties.
• Authors of publication: Dufresne, Stéphane; Pérez Guarìn, Sergio Andrés; Bolduc, Andréanne; Bourque, Alex N.; Skene, W. G.
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2009
• Journal volume: 8
• Journal issue: 6
• Pages of publication: 796 - 804
• a: 6.0019 ± 0.0016 Å
• b: 9.123 ± 0.003 Å
• c: 34.23 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1874.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No