Information card for entry 7211291

Structure parameters

• Formula: C50 H46 N4
• Calculated formula: C50 H46 N4
• SMILES: N1=C(C(=NC1(n1c(nc(c1c1ccccc1)c1ccccc1)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)c1ccccc1)c1ccccc1
• 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: 12.6166 ± 0.0002 Å
• b: 12.1515 ± 0.0002 Å
• c: 26.519 ± 0.0004 Å
• α: 90°
• β: 98.306 ± 0.0004°
• γ: 90°
• Cell volume: 4023 ± 0.11 ų
• Cell temperature: 99.98 K
• Ambient diffraction temperature: 99.98 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: 0.038
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• 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: No
• Has Fobs: No