Information card for entry 7123004

Structure parameters

• Formula: C39 H23 B N2 O3
• Calculated formula: C39 H23 B N2 O3
• Title of publication: Synthesis of chiral carbazole-based BODIPYs showing circularly polarized luminescence
• Authors of publication: Maeda, Chihiro; Nagahata, Keiji; Takaishi, Kazuto; Ema, Tadashi
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 13 ± 0.003 Å
• b: 6.5948 ± 0.0015 Å
• c: 16.243 ± 0.004 Å
• α: 90°
• β: 93.955 ± 0.006°
• γ: 90°
• Cell volume: 1389.2 ± 0.6 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No