Information card for entry 7714781

Structure parameters

• Formula: C18 H15 As
• Calculated formula: C18 H15 As
• SMILES: [As](c1ccccc1)(c1ccccc1)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: 10.9773 ± 0.0003 Å
• b: 15.1163 ± 0.0005 Å
• c: 17.7332 ± 0.0007 Å
• α: 84.333 ± 0.003°
• β: 80.134 ± 0.003°
• γ: 87.199 ± 0.003°
• Cell volume: 2883.36 ± 0.17 ų
• Cell temperature: 93.15 K
• Ambient diffraction temperature: 93.15 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No