Information card for entry 7133982

Structure parameters

• Formula: C56 H47 B3 F6 N6 O2
• Calculated formula: C56 H47 B3 F6 N6 O2
• Title of publication: A benzofuran-[<i>b</i>]-fused BODIPY trimer enabled by dual TBET and PET mechanisms for high-performance two-photon fluorescence imaging.
• Authors of publication: Zuo, Huiquan; Guo, Xing; Guo, Luying; Wu, Qinghua; Wang, Long; Kang, Zhengxin; Wang, Shaozhen; Jiao, Lijuan; Hao, Erhong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 99
• Pages of publication: 14854 - 14857
• a: 11.5461 ± 0.0006 Å
• b: 17.939 ± 0.0009 Å
• c: 26.5942 ± 0.0013 Å
• α: 79.276 ± 0.003°
• β: 85.459 ± 0.003°
• γ: 89.219 ± 0.003°
• Cell volume: 5395.1 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 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: 0.135
• Residual factor for significantly intense reflections: 0.1142
• Weighted residual factors for significantly intense reflections: 0.282
• Weighted residual factors for all reflections included in the refinement: 0.3104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No