Information card for entry 2212113

Structure parameters

• Chemical name: 2,7-dibromo-9,9-bis(4-hydroxyphenyl)-9H-fluorene
• Formula: C25 H16 Br2 O2
• Calculated formula: C25 H16 Br2 O2
• SMILES: Brc1cc2c(cc1)c1ccc(Br)cc1C2(c1ccc(O)cc1)c1ccc(O)cc1
• Title of publication: 2,7-Dibromo-9,9-bis(4-hydroxyphenyl)-9<i>H</i>-fluorene
• Authors of publication: Nadeau, Nathalie; McFarlane, Shaune; McDonald, Robert; Veinot, Jonathan G. C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o748 - o749
• a: 9.1346 ± 0.0014 Å
• b: 12.926 ± 0.002 Å
• c: 17.772 ± 0.003 Å
• α: 90°
• β: 102.004 ± 0.002°
• γ: 90°
• Cell volume: 2052.5 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• 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: 0.0554
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes