Information card for entry 7208433

Structure parameters

• Formula: C20 H12 O2 S3
• Calculated formula: C20 H12 O2 S3
• SMILES: s1c(cc2S(=O)(=O)c3c(sc(c3)c3ccccc3)c12)c1ccccc1
• Title of publication: Highly luminescent π-conjugated dithienometalloles: photophysical properties and their application in organic light-emitting diodes
• Authors of publication: Kondo, Ryosuke; Yasuda, Takuma; Yang, Yu Seok; Kim, Jun Yun; Adachi, Chihaya
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 33
• Pages of publication: 16810
• a: 16.192 ± 0.003 Å
• b: 15.167 ± 0.003 Å
• c: 13.658 ± 0.003 Å
• α: 90°
• β: 96.209 ± 0.003°
• γ: 90°
• Cell volume: 3334.5 ± 1.2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No