Information card for entry 1506652

Structure parameters

• Formula: C25 H14 Br2
• Calculated formula: C25 H14 Br2
• SMILES: Brc1ccc2c(C3(c4c(ccc(Br)c4)c4c3cccc4)c3c2cccc3)c1
• Title of publication: Improved synthesis of 2,2'-dibromo-9,9'-spirobifluorene and its 2,2'-bisdonor-7,7'-bisacceptor-substituted fluorescent derivatives.
• Authors of publication: Chiang, Chih-Long; Shu, Ching-Fong; Chen, Chin-Ti
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 17
• Pages of publication: 3717 - 3720
• a: 14.5655 ± 0.0005 Å
• b: 16.5819 ± 0.0005 Å
• c: 7.9981 ± 0.0002 Å
• α: 90°
• β: 93.485 ± 0.001°
• γ: 90°
• Cell volume: 1928.16 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• 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: 0.0623
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No