Information card for entry 7154965

Structure parameters

• Formula: C36 H24 Br4 N2
• Calculated formula: C36 H24 Br4 N2
• SMILES: Brc1ccc(N(c2ccc(cc2)c2ccc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)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: 15.3203 ± 0.0002 Å
• b: 15.5925 ± 0.0002 Å
• c: 19.8315 ± 0.0003 Å
• α: 87.2838 ± 0.0012°
• β: 81.2554 ± 0.0013°
• γ: 82.7604 ± 0.0012°
• Cell volume: 4643.06 ± 0.11 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: 0.0425
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No