Information card for entry 1574679

Structure parameters

• Formula: C8 H21 Br N O
• Calculated formula: C8 H21 Br N O
• 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: 9.06 ± 0.004 Å
• b: 10.028 ± 0.005 Å
• c: 13.559 ± 0.006 Å
• α: 90°
• β: 109.52°
• γ: 90°
• Cell volume: 1161.1 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0383
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No