Information card for entry 7211296

Structure parameters

• Formula: C50 H46 N4
• Calculated formula: C50 H46 N4
• SMILES: n1c(n(c(c1c1ccccc1)c1ccccc1)C1(N=C(c2ccccc2)C(=N1)c1ccccc1)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C
• 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: 12.1735 ± 0.0002 Å
• b: 12.2821 ± 0.0003 Å
• c: 15.1686 ± 0.0003 Å
• α: 111.605 ± 0.0004°
• β: 101.149 ± 0.0004°
• γ: 98.891 ± 0.0005°
• Cell volume: 2004.46 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 373.15 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• 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