Information card for entry 1577364

Structure parameters

• Formula: C44 H59 B N2 O
• Calculated formula: C44 H59 B 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: 13.3711 ± 0.0007 Å
• b: 19.0184 ± 0.001 Å
• c: 15.8471 ± 0.0008 Å
• α: 90°
• β: 106.027 ± 0.005°
• γ: 90°
• Cell volume: 3873.2 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0974
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No