Information card for entry 1567044

Structure parameters

• Formula: C19.56 H13.67 Br0.44 N O
• Calculated formula: C19.557 H13.671 Br0.443 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: 11.585 ± 0.0007 Å
• b: 10.11 ± 0.0006 Å
• c: 12.3005 ± 0.0007 Å
• α: 90°
• β: 94.882 ± 0.004°
• γ: 90°
• Cell volume: 1435.46 ± 0.15 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: 0.0919
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1966
• Weighted residual factors for all reflections included in the refinement: 0.2147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No