Information card for entry 7128204

Structure parameters

• Formula: C7 H15 N O4 S
• Calculated formula: C7 H15 N O4 S
• SMILES: S(=O)(=O)(O)[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: 7.0131 ± 0.0007 Å
• b: 7.1214 ± 0.0005 Å
• c: 19.477 ± 0.0017 Å
• α: 90°
• β: 93.127 ± 0.008°
• γ: 90°
• Cell volume: 971.29 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No