Information card for entry 7111866

Structure parameters

• Formula: C45 H28 S2
• Calculated formula: C45 H28 S2
• SMILES: s1c(c2cc3c(c4c(cc(cc4)c4sc(c5ccccc5)cc4)C43c3ccccc3c3ccccc43)cc2)ccc1c1ccccc1
• Title of publication: Polymorphism in 9,9-diarylfluorene-based organic semiconductors: influence on optoelectronic functions
• Authors of publication: Jun Yun Kim; Takuma Yasuda; Yu Seok Yang; Naoki Matsumoto; Chihaya Adachi
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 1523
• a: 16.096 ± 0.0004 Å
• b: 9.0213 ± 0.0002 Å
• c: 22.1626 ± 0.0005 Å
• α: 90°
• β: 93.855 ± 0.007°
• γ: 90°
• Cell volume: 3210.88 ± 0.13 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No