Information card for entry 7128203

Structure parameters

• Formula: C17 H29 N O4 S
• Calculated formula: C17 H29 N O4 S
• 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: 18.6138 ± 0.0003 Å
• b: 7.3953 ± 0.0001 Å
• c: 14.0162 ± 0.0002 Å
• α: 90°
• β: 109.918 ± 0.002°
• γ: 90°
• Cell volume: 1813.98 ± 0.05 ų
• Cell temperature: 298 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.12
• Residual factor for significantly intense reflections: 0.1097
• Weighted residual factors for significantly intense reflections: 0.3184
• Weighted residual factors for all reflections included in the refinement: 0.3322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No