Information card for entry 7129899

Structure parameters

• Formula: C39 H25 B3 Cl4 O2
• Calculated formula: C39 H25 B3 Cl4 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: 17.122 ± 0.0006 Å
• b: 9.1966 ± 0.0004 Å
• c: 21.6026 ± 0.0008 Å
• α: 90°
• β: 108.556 ± 0.004°
• γ: 90°
• Cell volume: 3224.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0676
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1662
• Weighted residual factors for all reflections included in the refinement: 0.1745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No