Information card for entry 7104172

Structure parameters

• Formula: C22 H16 N2 O4 S2
• Calculated formula: C22 H16 N2 O4 S2
• SMILES: O1CCOc2c1csc2c1cccc(n1)c1c2OCCOc2c(s1)c1ccccn1
• Title of publication: Novel chromophores from alternated pyridine-ethylenedioxythiophene unit oligomers: dramatic enhancement of photoluminescence properties in elongated derivatives.
• Authors of publication: Chevallier, Floris; Charlot, Marina; Katan, Claudine; Mongin, Florence; Blanchard-Desce, Mireille
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 6
• Pages of publication: 692 - 694
• a: 49.259 ± 0.005 Å
• b: 4.9656 ± 0.0004 Å
• c: 15.3119 ± 0.0013 Å
• α: 90°
• β: 90.604 ± 0.006°
• γ: 90°
• Cell volume: 3745.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1789
• Weighted residual factors for all reflections included in the refinement: 0.1901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No