Information card for entry 7133850

Structure parameters

• Formula: C21 H13 B F2 N2 S
• Calculated formula: C21 H13 B F2 N2 S
• Title of publication: Zig-zag-fused π-extended BODIPYs <i>via</i> gold-catalysed cycloisomerisation.
• Authors of publication: Ohashi, Fumika; Takano, Hideaki; Shinokubo, Hiroshi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 88
• Pages of publication: 12892 - 12895
• a: 5.9057 ± 0.0001 Å
• b: 15.6724 ± 0.0004 Å
• c: 17.7952 ± 0.0005 Å
• α: 90°
• β: 97.537 ± 0.002°
• γ: 90°
• Cell volume: 1632.83 ± 0.07 ų
• Cell temperature: 93 ± 0.1 K
• Ambient diffraction temperature: 93 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No