Information card for entry 1577367

Structure parameters

• Formula: C112 H142 B2 Br2 Li4 N4 O2
• Calculated formula: C112 H142 B2 Br2 Li4 N4 O2
• 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: 21.3971 ± 0.0006 Å
• b: 36.2939 ± 0.001 Å
• c: 13.2187 ± 0.0004 Å
• α: 90°
• β: 90.469 ± 0.003°
• γ: 90°
• Cell volume: 10265.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1258
• Residual factor for significantly intense reflections: 0.1066
• Weighted residual factors for significantly intense reflections: 0.2909
• Weighted residual factors for all reflections included in the refinement: 0.3123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No