Information card for entry 4125279

Structure parameters

• Formula: C8 H20 Cl N O4
• Calculated formula: C8 H20 Cl N O4
• SMILES: Cl(=O)(=O)(=O)[O-].[N+](CC)(CC)(CC)CC
• Title of publication: Molecular Ferroelectric with Most Equivalent Polarization Directions Induced by the Plastic Phase Transition.
• Authors of publication: Ye, Heng-Yun; Ge, Jia-Zhen; Tang, Yuan-Yuan; Li, Peng-Fei; Zhang, Yi; You, Yu-Meng; Xiong, Ren-Gen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 40
• Pages of publication: 13175
• a: 12.518 ± 0.008 Å
• b: 7.417 ± 0.004 Å
• c: 13.997 ± 0.009 Å
• α: 90°
• β: 115.009 ± 0.01°
• γ: 90°
• Cell volume: 1177.7 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No