Information card for entry 4106354

Structure parameters

• Formula: C11 H8 Br2
• Calculated formula: C11 H6.5 Br2
• Title of publication: Stimuli-Responsive Azulene-Based Conjugated Oligomers with Polyaniline-like Properties
• Authors of publication: Elizabeth Amir; Roey J. Amir; Luis M. Campos; Craig J. Hawker
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 10046 - 10049
• a: 9.7574 ± 0.0007 Å
• b: 14.7261 ± 0.001 Å
• c: 14.4347 ± 0.001 Å
• α: 90°
• β: 104.03 ± 0.004°
• γ: 90°
• Cell volume: 2012.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1758
• Weighted residual factors for all reflections included in the refinement: 0.1811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No