Information card for entry 1575948

Structure parameters

• Formula: C52 H28 F6 N2
• Calculated formula: C52 H28 F6 N2
• Title of publication: Achieving controllable packing mode and broad colour-tunable emission <i>via</i> the end group effect in pyrene-based aggregation-induced emission luminogens.
• Authors of publication: Zeng, Chongyang; Liang, Shan; Lin, Jieyu; Liu, Wei; Xie, Zhixin; Cai, Wenxuan; Redshaw, Carl; Feng, Xing; Tang, Ben Zhong
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 36
• Pages of publication: 16719 - 16728
• a: 8.102 ± 0.002 Å
• b: 34.566 ± 0.012 Å
• c: 13.851 ± 0.005 Å
• α: 90°
• β: 100.625 ± 0.011°
• γ: 90°
• Cell volume: 3813 ± 2 ų
• Cell temperature: 300.01 K
• Ambient diffraction temperature: 300.01 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1947
• Residual factor for significantly intense reflections: 0.1421
• Weighted residual factors for significantly intense reflections: 0.2438
• Weighted residual factors for all reflections included in the refinement: 0.2949
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No