Information card for entry 7714771

Structure parameters

• Formula: C23 H20 As B S2
• Calculated formula: C23 H20 As B S2
• SMILES: [As]1(c2sccc2B(c2c1scc2)c1c(cc(cc1C)C)C)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: 10.0361 ± 0.0006 Å
• b: 12.8683 ± 0.0008 Å
• c: 17.6889 ± 0.0011 Å
• α: 108.955 ± 0.006°
• β: 91.163 ± 0.005°
• γ: 104.195 ± 0.005°
• Cell volume: 2082.1 ± 0.2 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No