Information card for entry 7206352

Structure parameters

• Formula: C22 H21 Br2 N
• Calculated formula: C22 H21 Br2 N
• 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: 7.074 ± 0.0003 Å
• b: 10.1883 ± 0.0004 Å
• c: 13.977 ± 0.0005 Å
• α: 80.255 ± 0.003°
• β: 87.742 ± 0.003°
• γ: 89.718 ± 0.003°
• Cell volume: 992.04 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0436
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No