Information card for entry 7240776

Structure parameters

• Formula: C38 H22 N2 S3
• Calculated formula: C38 H22 N2 S3
• SMILES: s1c(ccc1c1sc(cc1)c1ccc(cc1)c1ccc(cc1)C#N)c1sc(cc1)c1ccc(cc1)c1ccc(cc1)C#N
• Title of publication: Synthesis and characterization of methoxy- or cyano-substituted thiophene/phenylene co-oligomers for lasing application
• Authors of publication: Matsuo, Takumi; Rössiger, Carina; Herr, Jasmin; Göttlich, Richard; Schlettwein, Derck; Mizuno, Hitoshi; Sasaki, Fumio; Yanagi, Hisao
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 40
• Pages of publication: 24057 - 24062
• a: 9.486 ± 0.004 Å
• b: 14.918 ± 0.006 Å
• c: 19.581 ± 0.009 Å
• α: 82.727 ± 0.008°
• β: 87.506 ± 0.008°
• γ: 89.924 ± 0.007°
• Cell volume: 2746 ± 2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.207
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.2189
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No