Information card for entry 7714777

Structure parameters

• Formula: C23 H20 As B S2
• Calculated formula: C23 H20 As B S2
• SMILES: [As]1(c2c(B(c3sccc13)c1c(cc(cc1C)C)C)scc2)c1ccccc1
• Title of publication: Synthesis, structures, and photophysical properties of π-extended arsaborins.
• Authors of publication: Sumida, Akifumi; Onishi, Tomoharu; Imoto, Hiroaki; Naka, Kensuke
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 1706 - 1713
• a: 13.0268 ± 0.0009 Å
• b: 20.0634 ± 0.0012 Å
• c: 8.5129 ± 0.0006 Å
• α: 90°
• β: 106.887 ± 0.008°
• γ: 90°
• Cell volume: 2129 ± 0.3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No