Information card for entry 7128202

Structure parameters

• Formula: C17 H29 N O4 S
• Calculated formula: C17 H29 N O4 S
• SMILES: S(=O)(=O)([O-])C[C@@]12C(C)(C)[C@@H](CC1)CC2=O.[NH+]12CCC(CC1)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: 13.9958 ± 0.0006 Å
• b: 7.4192 ± 0.0003 Å
• c: 18.5276 ± 0.0008 Å
• α: 90°
• β: 109.796 ± 0.005°
• γ: 90°
• Cell volume: 1810.17 ± 0.14 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: 0.0712
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1673
• Weighted residual factors for all reflections included in the refinement: 0.1799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No