Information card for entry 1574682

Structure parameters

• Chemical name: 10-I-MeOH
• Formula: C16 H38 I2 N2
• Calculated formula: C16 H38 I2 N2
• SMILES: C[N+](CCCCCCCCCC[N+](C)(C)C)(C)C.[I-].[I-]
• 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: 18.646 ± 0.003 Å
• b: 13.3913 ± 0.0014 Å
• c: 14.6422 ± 0.0018 Å
• α: 90°
• β: 135.346 ± 0.003°
• γ: 90°
• Cell volume: 2569.6 ± 0.6 ų
• Cell temperature: 175 ± 2 K
• Ambient diffraction temperature: 175 ± 2 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: 0.03
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No