Information card for entry 2217825

Structure parameters

• Common name: 9,9'-dibromo-9,9'-bifluorene
• Chemical name: 9,9'-Dibromo-9,9'-bifluorene
• Formula: C26 H16 Br2
• Calculated formula: C26 H16 Br2
• SMILES: c1cccc2c1C(c1ccccc21)(C1(c2ccccc2c2ccccc12)Br)Br
• Title of publication: 9,9'-Dibromo-9,9'-bifluorene
• Authors of publication: Mizuhata, Yoshiyuki; Tokitoh, Norihiro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o544
• a: 12.7083 ± 0.0003 Å
• b: 12.048 ± 0.0002 Å
• c: 12.7786 ± 0.0002 Å
• α: 90°
• β: 102.534 ± 0.0008°
• γ: 90°
• Cell volume: 1909.9 ± 0.06 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 3
• 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: 0.0278
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes