Information card for entry 1574584

Structure parameters

• Formula: C52 H37 Br2 N3
• Calculated formula: C52 H37 Br2.0001 N3
• Title of publication: Multiple stimulus modulated organic crystal polymorphs with tunable luminescence behavior
• Authors of publication: Zhou, Qian; Feng, Mingxia; Shi, Caihong; Qian, Mengqiu; Ma, Xiurong; He, Runying; Meng, Xian; Shi, Yonggang; Cao, Qiue; Zheng, Liyan
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 22
• Pages of publication: 9988 - 9997
• a: 38.4139 ± 0.0017 Å
• b: 7.1583 ± 0.0003 Å
• c: 33.7745 ± 0.0015 Å
• α: 90°
• β: 98.265 ± 0.002°
• γ: 90°
• Cell volume: 9190.8 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1274
• Residual factor for significantly intense reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.1707
• Weighted residual factors for all reflections included in the refinement: 0.1882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No