Information card for entry 7046394

Structure parameters

• Formula: C19.5 H24.75 B0.75 I1.5 O1.5
• Calculated formula: C19.5 H24.75 B0.75 I1.5 O1.5
• Title of publication: Difuryl(supermesityl)borane: a versatile building block for extended π-conjugated materials.
• Authors of publication: Riensch, Nicolas A.; Fritze, Lars; Schindler, Tobias; Kremer, Marius; Helten, Holger
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 31
• Pages of publication: 10399 - 10403
• a: 10.7568 ± 0.0012 Å
• b: 17.0259 ± 0.0018 Å
• c: 22.758 ± 0.002 Å
• α: 94.956 ± 0.002°
• β: 94.394 ± 0.002°
• γ: 103.556 ± 0.002°
• Cell volume: 4016.5 ± 0.7 ų
• Cell temperature: 100 ± 2 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: 0.0482
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No