Information card for entry 1567046

Structure parameters

• Formula: C19.91 H14.74 Br0.09 N O
• Calculated formula: C19.9121 H14.7363 Br0.0879 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: 11.6141 ± 0.0006 Å
• b: 10.0515 ± 0.0005 Å
• c: 12.2961 ± 0.0006 Å
• α: 90°
• β: 94.745 ± 0.001°
• γ: 90°
• Cell volume: 1430.52 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0449
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No