Information card for entry 7211294

Structure parameters

• Formula: C50 H46 N4 O2
• Calculated formula: C50 H46 N4 O2
• Title of publication: The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers.
• Authors of publication: Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 20
• Pages of publication: 7848 - 7853
• a: 16.1305 ± 0.001 Å
• b: 15.4759 ± 0.0006 Å
• c: 16.6219 ± 0.0006 Å
• α: 90°
• β: 94.267 ± 0.001°
• γ: 90°
• Cell volume: 4137.9 ± 0.3 ų
• Cell temperature: 160 K
• Ambient diffraction temperature: 160 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54188 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No