Information card for entry 1574683

Structure parameters

• Chemical name: 8-Br-a
• Formula: C14 H38 Br2 N2 O2
• Calculated formula: C14 H38 Br2 N2 O2
• SMILES: C[N+](C)(CCCCCCCC[N+](C)(C)C)C.O.[Br-].O.[Br-]
• Title of publication: Polymorphism and phase transformation tuned luminescence and mechanistic insights in nonconventional luminophores
• Authors of publication: Li, Anze; Zhao, Zihao; Yang, Guangxin; Zhang, Qiang; Chen, Xiang; Yuan, Wang Zhang
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 25
• Pages of publication: 11530 - 11538
• a: 7.9725 ± 0.0003 Å
• b: 10.1116 ± 0.0002 Å
• c: 12.9668 ± 0.0003 Å
• α: 90°
• β: 103.377 ± 0.003°
• γ: 90°
• Cell volume: 1016.95 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0166
• Residual factor for significantly intense reflections: 0.016
• Weighted residual factors for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.0423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No