Information card for entry 1577371

Structure parameters

• Formula: C59 H74 B F N2
• Calculated formula: C59 H74 B F N2
• Title of publication: Xanthene-to-fluorene skeletal editing <i>via</i> oxygen deletion mediated by boron and aluminium radicals.
• Authors of publication: Nahon, Emily; Nelmes, Gareth R.; Dallerba, Elena; Lim, Li Feng; Cox, Nicholas; McMullin, Claire L.; Massi, Massimiliano; Kallmeier, Fabian; Hicks, Jamie
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 21
• Pages of publication: 10755 - 10761
• a: 10.7164 ± 0.0003 Å
• b: 18.2938 ± 0.0003 Å
• c: 41.3527 ± 0.0003 Å
• α: 84.219 ± 0.001°
• β: 89.865 ± 0.002°
• γ: 73.44 ± 0.002°
• Cell volume: 7728.2 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.2268
• Weighted residual factors for all reflections included in the refinement: 0.2342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No