Information card for entry 1550415

Structure parameters

• Formula: C39 H32 Br2 N4 O
• Calculated formula: C39 H32 Br2 N4 O
• Title of publication: UV-irradiation of self-assembled triphenylamines affords persistent and regenerable radicals
• Authors of publication: Sindt, Ammon J.; DeHaven, Baillie A.; McEachern, David F.; Dissanayake, Madushanka M.; Smith, Mark D.; Vannucci, Aaron K.; Shimizu, Linda S.
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 18.5184 ± 0.0008 Å
• b: 19.9443 ± 0.0007 Å
• c: 9.0043 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3325.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No