Information card for entry 7715958

Structure parameters

• Formula: C24 H14 B4 Br2 F6 N6 O3
• Calculated formula: C24 H14 B4 Br2 F6 N6 O3
• SMILES: Brc1ccc(C2=[O][B](F)(F)N3N2[B@@]2(F)O[B@]4(F)N5N(c6[n]4c(ccc6)c4[n]2c3ccc4)[B](F)(F)[O]=C5c2ccc(Br)cc2)cc1.Brc1ccc(C2=[O][B](F)(F)N3N2[B@]2(F)O[B@@]4(F)N5N(c6[n]4c(ccc6)c4[n]2c3ccc4)[B](F)(F)[O]=C5c2ccc(Br)cc2)cc1
• 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 (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 21
• Pages of publication: 9183 - 9191
• 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