Information card for entry 7129897

Structure parameters

• Formula: C26 H16 B2 O2
• Calculated formula: C26 H16 B2 O2
• Title of publication: A carbon-functionality-appended diborylacetylene available for a component of organic synthesis and OLEDs
• Authors of publication: Tsukada, Tetsuyoshi; Shoji, Yoshiaki; Takenouchi, Kumiko; Taka, Hideo; Fukushima, Takanori
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 9.191 ± 0.0004 Å
• b: 9.2332 ± 0.0005 Å
• c: 12.5455 ± 0.0007 Å
• α: 70.147 ± 0.005°
• β: 73.252 ± 0.004°
• γ: 86.127 ± 0.004°
• Cell volume: 958.35 ± 0.09 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: 0.039
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No