Information card for entry 7236975

Structure parameters

• Formula: C19 H12 Br N O
• Calculated formula: C19 H12 Br N O
• Title of publication: Manipulating organic triplet harvesting in regioisomeric microcrystals
• Authors of publication: Liu, Yang; Zhan, Ge; Fang, Peiyu; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 47
• Pages of publication: 12547
• a: 21.5976 ± 0.0018 Å
• b: 7.7186 ± 0.0004 Å
• c: 18.3872 ± 0.0016 Å
• α: 90°
• β: 110.435 ± 0.01°
• γ: 90°
• Cell volume: 2872.3 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No