Information card for entry 7059998

Structure parameters

• Formula: C49.72 H65.3 B2 O2.93 S2
• Calculated formula: C49.72 H65.3 B2 O2.93 S2
• Title of publication: Bifuran-bridged bisboranes: highly luminescent B-doped oligohetarenes
• Authors of publication: Riensch, Nicolas Alexander; Fest, Maximilian; Fritze, Lars; Helbig, Andreas; Krummenacher, Ivo; Braunschweig, Holger; Helten, Holger
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 33
• Pages of publication: 14920 - 14924
• a: 16.0812 ± 0.0014 Å
• b: 9.6707 ± 0.0008 Å
• c: 17.1517 ± 0.0015 Å
• α: 90°
• β: 117.418 ± 0.002°
• γ: 90°
• Cell volume: 2367.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0761
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No