Information card for entry 7132256

Structure parameters

• Chemical name: C61H46B2Cl2F20
• Formula: C61 H46 B2 Cl2 F20
• Calculated formula: C61 H46 B2 Cl2 F20
• Title of publication: Skeletal rearrangement of a boron-containing annulenic molecule into a macrocycle bridged by an electronically stabilized boron cation
• Authors of publication: Murata, Yukihiro; Özen, Cihan; Maeda, Satoshi; Fukushima, Takanori; Shoji, Yoshiaki
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 12.4793 ± 0.0001 Å
• b: 14.1126 ± 0.0002 Å
• c: 16.1478 ± 0.0002 Å
• α: 71.23 ± 0.001°
• β: 82.932 ± 0.001°
• γ: 79.863 ± 0.001°
• Cell volume: 2643.86 ± 0.06 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0383
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0419
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No