Information card for entry 7714770

Structure parameters

• Formula: C27 H24 As B
• Calculated formula: C27 H24 As B
• SMILES: [As]1(c2c(B(c3c1cccc3)c1c(cc(cc1C)C)C)cccc2)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: 9.0332 ± 0.0009 Å
• b: 11.5594 ± 0.0015 Å
• c: 12.589 ± 0.002 Å
• α: 114.397 ± 0.015°
• β: 91.526 ± 0.011°
• γ: 112.134 ± 0.011°
• Cell volume: 1082.7 ± 0.3 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: 0.0593
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No