Information card for entry 7212355

Structure parameters

• Formula: C9 H14 Cl6 N2 O4
• Calculated formula: C9 H14 Cl6 N2 O4
• SMILES: ClC(Cl)(Cl)C(=O)[O-].ClC(Cl)(Cl)C(=O)[O-].[NH2+]1C[C@H]([NH2+]CC1)C
• Title of publication: The first homochiral compound with temperature-independence of piezoelectric properties
• Authors of publication: Cai, Hong-Ling; Zhang, Tong; Chen, Li-Zhuang; Xiong, Ren-Gen
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2010
• Journal volume: 20
• Journal issue: 10
• Pages of publication: 1868
• a: 6.337 ± 0.004 Å
• b: 19.79 ± 0.005 Å
• c: 6.947 ± 0.005 Å
• α: 90°
• β: 95.21 ± 0.03°
• γ: 90°
• Cell volume: 867.6 ± 0.9 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: 0.0882
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1381
• 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