Information card for entry 1577362

Structure parameters

• Formula: C54.5 H69.5 B F N2 O
• Calculated formula: C54.5 H69.5 B F N2 O
• 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: 10.9355 ± 0.0004 Å
• b: 22.3155 ± 0.0012 Å
• c: 22.659 ± 0.0013 Å
• α: 116.289 ± 0.006°
• β: 99.564 ± 0.004°
• γ: 93.218 ± 0.004°
• Cell volume: 4835.8 ± 0.5 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 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: 0.1299
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.1764
• Weighted residual factors for all reflections included in the refinement: 0.2109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No