Information card for entry 1567043

Structure parameters

• Formula: C19.44 H13.32 Br0.56 N O
• Calculated formula: C19.4399 H13.3197 Br0.5601 N O
• Title of publication: Control of photoluminescence quantum yield and long-lived triplet emission lifetime in organic alloys
• Authors of publication: Xu, Zhen; Hean, Duane; Yuan, Jennifer; Wolf, Michael O.
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 11.568 ± 0.0007 Å
• b: 10.1429 ± 0.0005 Å
• c: 12.3305 ± 0.0007 Å
• α: 90°
• β: 95.097 ± 0.002°
• γ: 90°
• Cell volume: 1441.05 ± 0.14 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• 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: 0.0355
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No