Information card for entry 7715957

Structure parameters

• Formula: C28 H26 B4 F8 N8 O2
• Calculated formula: C28 H26 B4 F8 N8 O2
• SMILES: [B]1(F)(F)[n]2c(cccc2N2[B](F)(F)[O]=C(c3ccc(cc3)N(C)C)N12)c1cccc2[n]1[B](F)(F)N1C(c3ccc(cc3)N(C)C)=[O][B](F)(F)N21
• 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: 9.2962 ± 0.0007 Å
• b: 9.8661 ± 0.0007 Å
• c: 17.0113 ± 0.0012 Å
• α: 84.337 ± 0.006°
• β: 83.855 ± 0.006°
• γ: 80.627 ± 0.006°
• Cell volume: 1525.3 ± 0.19 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.1068
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No