Information card for entry 7129745

Structure parameters

• Formula: C39 H24 B Cl2 F N2 O2
• Calculated formula: C39 H24 B Cl2 F N2 O2
• Title of publication: Circularly Polarized Luminescence from Helical N,O-Boron-Chelated Dipyrromethenes (BODIPY) Derivatives
• Authors of publication: Wang, Ling-Yun; Liu, Zheng Fei; Teng, Kun-Xu; Niu, Li-Ya; Yang, Qing-Zheng
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 13.0101 ± 0.0004 Å
• b: 10.3606 ± 0.0002 Å
• c: 13.4292 ± 0.0004 Å
• α: 90°
• β: 118.414 ± 0.004°
• γ: 90°
• Cell volume: 1592.09 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No