Information card for entry 7132782

Structure parameters

• Chemical name: axially-fluoro-substituted azabora[6]helicene
• Formula: C27 H15 B F N5
• Calculated formula: C27 H15 B F N5
• SMILES: F[B]12N3C(=Nc4[n]2c(N=C2N1c1c5c2cccc5ccc1)ccc4)c1c2c3cccc2ccc1
• Title of publication: One-pot synthesis of azabora[6]helicene by a Schiff base forming reaction.
• Authors of publication: Kage, Yuto; Jiang, Yuchuan; Minakuchi, Namiki; Mori, Shigeki; Shimizu, Soji
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 26
• Pages of publication: 3543 - 3546
• a: 8.0536 ± 0.0005 Å
• b: 8.9238 ± 0.0005 Å
• c: 15.0934 ± 0.0009 Å
• α: 79.306 ± 0.005°
• β: 85.035 ± 0.005°
• γ: 65.599 ± 0.005°
• Cell volume: 970.63 ± 0.11 ų
• Cell temperature: 100 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: 0.0884
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No