Information card for entry 7713488

Structure parameters

• Formula: C42 H49 B F2 N2
• Calculated formula: C42 H49 B F2 N2
• Title of publication: One- and two-electron reductions of a bulky BODIPY compound
• Authors of publication: Pascoe, Liam M.; Lim, Li Feng; Kallmeier, Fabian; Cox, Nicholas; Brothers, Penelope Jane; Hicks, Jamie
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 21.418 ± 0.0003 Å
• b: 17.0027 ± 0.0002 Å
• c: 22.8135 ± 0.0004 Å
• α: 90°
• β: 116.951 ± 0.002°
• γ: 90°
• Cell volume: 7405.6 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No