Information card for entry 7206353

Structure parameters

• Formula: C28 H29 Br2 N3 O
• Calculated formula: C28 H29 Br2 N3 O
• SMILES: n1(c(nnc1c1cc(Br)ccc1)c1cc(Br)ccc1)c1ccc(cc1)OCCCCCCCC
• Title of publication: The tuning of the energy levels of dibenzosilole copolymers and applications in organic electronics
• Authors of publication: Keyworth, Colin W.; Chan, Khai Leok; Labram, John G.; Anthopoulos, Thomas D.; Watkins, Scott E.; McKiernan, Mary; White, Andrew J. P.; Holmes, Andrew B.; Williams, Charlotte K.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2011
• Journal volume: 21
• Journal issue: 32
• Pages of publication: 11800
• a: 19.3994 ± 0.0004 Å
• b: 9.571 ± 0.0002 Å
• c: 28.8219 ± 0.0007 Å
• α: 90°
• β: 100.402 ± 0.002°
• γ: 90°
• Cell volume: 5263.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No