Information card for entry 7711065

Structure parameters

• Formula: C15 H8 As F3 S2
• Calculated formula: C15 H8 As F3 S2
• Title of publication: 4-Aryldithieno[3,2-b:2′,3′-d]arsoles: effects of the As-substituent on the structure, photophysical properties, and stability
• Authors of publication: Takahara, Chisa; Iwasaki, Suzuka; Kihara, Hyota; Miyake, Yusuke; Imoto, Hiroaki; Naka, Kensuke
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.8863 ± 0.0018 Å
• b: 5.7947 ± 0.0008 Å
• c: 38.748 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2893.4 ± 0.8 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No