Information card for entry 7715954

Structure parameters

• Formula: C24 H16 B4 F8 N6 O2
• Calculated formula: C24 H16 B4 F8 N6 O2
• 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: 18.914 ± 0.0002 Å
• b: 18.914 ± 0.0002 Å
• c: 27.7587 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9930.4 ± 0.2 ų
• Cell temperature: 100.02 ± 0.1 K
• Ambient diffraction temperature: 100.02 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No