Information card for entry 7123002

Structure parameters

• Formula: C39 H22 B N2 O2 S
• Calculated formula: C39 H22 B N2 O2 S
• 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: 12.978 ± 0.002 Å
• b: 6.7317 ± 0.0011 Å
• c: 16.309 ± 0.003 Å
• α: 90°
• β: 95.116 ± 0.005°
• γ: 90°
• Cell volume: 1419.1 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No