Information card for entry 7128205

Structure parameters

• Formula: C17 H29 N O4 S
• Calculated formula: C17 H29 N O4 S
• SMILES: CC1(C)[C@H]2CC(=O)[C@@]1(CC2)CS(=O)(=O)[O-].C1[NH+]2CCC(C1)CC2
• Title of publication: Homochiral anionic modification toward the chemical design of organic enantiomeric ferroelectrics.
• Authors of publication: Li, Yibao; Du, Ye; Huang, Chao-Ran; Peng, Hang; Zeng, Yu-Ling; Liu, Jun-Chao; Liao, Wei-Qiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 42
• Pages of publication: 5171 - 5174
• a: 14.0095 ± 0.0002 Å
• b: 7.4162 ± 0.0001 Å
• c: 18.5511 ± 0.0002 Å
• α: 90°
• β: 109.791 ± 0.002°
• γ: 90°
• Cell volume: 1813.56 ± 0.05 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: 0.0653
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1674
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No