Information card for entry 1554630

Structure parameters

• Formula: C13 H30 I N3
• Calculated formula: C13 H30 I N3
• SMILES: C(=[N+](CC)CC)(N(CC)CC)N(CC)CC.[I-]
• Title of publication: Highly stable polysulfone anion exchange membranes incorporated with bulky alkyl substituted guanidinium cations
• Authors of publication: Xue, Boxin; Wang, Fen; Zheng, Jifu; Li, Shenghai; Zhang, Suobo
• Journal of publication: Molecular Systems Design & Engineering
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 5
• Pages of publication: 1039
• a: 8.6068 ± 0.0009 Å
• b: 14.9193 ± 0.0015 Å
• c: 14.6169 ± 0.0012 Å
• α: 90°
• β: 110.458 ± 0.005°
• γ: 90°
• Cell volume: 1758.5 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.0418
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No