Information card for entry 7154964

Structure parameters

• Formula: C36 H22 Br6 N2
• Calculated formula: C36 H22 Br6 N2
• SMILES: Brc1c(ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)c1)c1c(Br)cc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
• Title of publication: A search for blues brothers: X-ray crystallographic/spectroscopic characterization of the tetraarylbenzidine cation radical as a product of aging of solid magic blue.
• Authors of publication: Talipov, Marat R.; Hossain, Mohammad M.; Boddeda, Anitha; Thakur, Khushabu; Rathore, Rajendra
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 2961 - 2968
• a: 10.1188 ± 0.0002 Å
• b: 13.8839 ± 0.0003 Å
• c: 16.4081 ± 0.0005 Å
• α: 107.983 ± 0.002°
• β: 106.75 ± 0.002°
• γ: 96.924 ± 0.002°
• Cell volume: 2043.2 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0371
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No