Information card for entry 7156856

Structure parameters

• Formula: C30 H24 B N
• Calculated formula: C30 H24 B N
• Title of publication: Planarized B,N-phenylated dibenzoazaborine with a carbazole substructure: electronic impact of the structural constraint.
• Authors of publication: Ando, Mikinori; Sakai, Mika; Ando, Naoki; Hirai, Masato; Yamaguchi, Shigehiro
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 22
• Pages of publication: 5500 - 5504
• a: 10.6779 ± 0.0002 Å
• b: 10.889 ± 0.0002 Å
• c: 36.8908 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4289.35 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No