Information card for entry 7715958

Structure parameters

• Formula: C24 H14 B4 Br2 F6 N6 O3
• Calculated formula: C24 H14 B4 Br2 F6 N6 O3
• Title of publication: Simultaneous Discovery of Chiral and Achiral Dyes: Elucidating the Optical Functions of Helical and Flag-Hinged Boron–Tetradentate Complexes
• Authors of publication: Cui, Luxia; Furuta, Ryoji; Harada, Takunori; Konta, Takeru; Hoshino, Yu; Ono, Toshikazu
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 8.1074 ± 0.0011 Å
• b: 10.5772 ± 0.0017 Å
• c: 15.807 ± 0.003 Å
• α: 91.309 ± 0.014°
• β: 91.058 ± 0.014°
• γ: 99.216 ± 0.013°
• Cell volume: 1337.3 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1673
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1877
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No