Information card for entry 1577368

Structure parameters

• Formula: C53 H68 B Br N2 O
• Calculated formula: C53 H68 B Br 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: 10.5889 ± 0.0002 Å
• b: 20.4928 ± 0.0003 Å
• c: 11.9029 ± 0.0003 Å
• α: 90°
• β: 111.939 ± 0.002°
• γ: 90°
• Cell volume: 2395.84 ± 0.09 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No