Information card for entry 7126560

Structure parameters

• Formula: C6 H13 F I N
• Calculated formula: C6 H13 F I N
• SMILES: [I-].[N+]1(C[C@@H](F)CC1)(C)C
• Title of publication: Highest-T_c organic enantiomeric ferroelectrics obtained by F/H substitution.
• Authors of publication: Ai, Yong; Wu, Dong-Ji; Yang, Meng-Juan; Wang, Pan; He, Wen-Hui; Liao, Wei-Qiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 51
• Pages of publication: 7033 - 7036
• a: 5.9585 ± 0.0002 Å
• b: 7.6205 ± 0.0003 Å
• c: 10.1558 ± 0.0004 Å
• α: 90°
• β: 105.571 ± 0.004°
• γ: 90°
• Cell volume: 444.22 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0186
• Residual factor for significantly intense reflections: 0.0184
• Weighted residual factors for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections included in the refinement: 0.0474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No