Information card for entry 7715955

Structure parameters

• Formula: C24 H16 B4 F6 N6 O3
• Calculated formula: C24 H16 B4 F6 N6 O3
• SMILES: F[B]1([O]=C(N2N1c1[n]3c(ccc1)c1[n]4c(N5N(C(=[O][B]5(F)F)c5ccccc5)[B@]4(O[B@]23F)F)ccc1)c1ccccc1)F.F[B]1([O]=C(N2N1c1[n]3c(ccc1)c1[n]4c(N5N(C(=[O][B]5(F)F)c5ccccc5)[B@@]4(O[B@@]23F)F)ccc1)c1ccccc1)F
• 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: 8.4265 ± 0.0004 Å
• b: 10.5693 ± 0.0004 Å
• c: 13.8392 ± 0.0006 Å
• α: 89.215 ± 0.003°
• β: 85.014 ± 0.004°
• γ: 79.567 ± 0.003°
• Cell volume: 1207.58 ± 0.09 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No