Information card for entry 4129539

Structure parameters

• Formula: C27 H13 B F4 O
• Calculated formula: C27 H13 B F4 O
• Title of publication: Electronically Stabilized Nonplanar Phenalenyl Radical and Its Planar Isomer.
• Authors of publication: Anamimoghadam, Ommid; Symes, Mark D.; Long, De-Liang; Sproules, Stephen; Cronin, Leroy; Bucher, Götz
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 47
• Pages of publication: 14944 - 14951
• a: 7.0623 ± 0.0005 Å
• b: 10.8007 ± 0.0009 Å
• c: 24.0268 ± 0.0018 Å
• α: 89.162 ± 0.004°
• β: 83.187 ± 0.004°
• γ: 89.936 ± 0.004°
• Cell volume: 1819.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No