Information card for entry 7130450

Structure parameters

• Formula: C27 H26 Br2 O
• Calculated formula: C27 H26 Br2 O
• SMILES: Brc1cc2C(c3c(ccc(Br)c3)c2cc1)=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis and optoelectronic properties of radical conjugated polyfluorenes.
• Authors of publication: Cheng, Susan; Battaglia, Alicia M.; Imperiale, Christian J.; Lough, Alan; Wilson, Mark W. B.; Seferos, Dwight S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 62
• Pages of publication: 8630 - 8633
• a: 5.9449 ± 0.0009 Å
• b: 11.5815 ± 0.0017 Å
• c: 17.349 ± 0.002 Å
• α: 98.128 ± 0.004°
• β: 96.785 ± 0.004°
• γ: 99.935 ± 0.004°
• Cell volume: 1152.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No