Information card for entry 7714783

Structure parameters

• Formula: C27 H24 As B S
• Calculated formula: C27 H24 As B S
• SMILES: [As]1(=S)(c2c(cccc2)B(c2c1cccc2)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: 9.5976 ± 0.0007 Å
• b: 11.9622 ± 0.0006 Å
• c: 20.8108 ± 0.0011 Å
• α: 89.766 ± 0.004°
• β: 78.127 ± 0.005°
• γ: 77.208 ± 0.005°
• Cell volume: 2278 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0972
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No