Information card for entry 1567045

Structure parameters

• Formula: C19.81 H14.44 Br0.19 N O
• Calculated formula: C19.8125 H14.4375 Br0.1875 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: 11.603 ± 0.0008 Å
• b: 10.0711 ± 0.0006 Å
• c: 12.3038 ± 0.0008 Å
• α: 90°
• β: 94.846 ± 0.002°
• γ: 90°
• Cell volume: 1432.62 ± 0.16 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 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: 0.0448
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No