Information card for entry 7711068

Structure parameters

• Formula: C24 H12 As2 S6
• Calculated formula: C24 H12 As2 S6
• SMILES: [As]1(c2c(scc2)c2sccc12)c1c(scc1)c1sccc1[As]1c2c(scc2)c2sccc12
• 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: 8.3051 ± 0.0006 Å
• b: 10.0061 ± 0.0007 Å
• c: 14.2153 ± 0.001 Å
• α: 84.619 ± 0.006°
• β: 87.423 ± 0.006°
• γ: 88.562 ± 0.006°
• Cell volume: 1174.66 ± 0.14 ų
• Cell temperature: 93.15 K
• Ambient diffraction temperature: 93.15 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: 0.0763
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No