Information card for entry 2224954

Structure parameters

• Chemical name: 9-Bromo-9-borafluorene
• Formula: C12 H8 B Br
• Calculated formula: C12 H8 B Br
• SMILES: BrB1c2ccccc2c2c1cccc2
• Title of publication: 9-Bromo-9-borafluorene
• Authors of publication: Hübner, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o444
• a: 34.939 ± 0.003 Å
• b: 85.482 ± 0.004 Å
• c: 3.9672 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11848.7 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 0.863
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes