Information card for entry 7207939

Structure parameters

• Formula: C9 H14 Cl N O4
• Calculated formula: C9 H14 Cl N O4
• SMILES: Cl(=O)(=O)(=O)[O-].c1([NH3+])c(cc(cc1C)C)C
• Title of publication: Ferroelastic phase transition and dielectric anomalies in 2,4,6-trimethylanilinium perchlorate
• Authors of publication: Zhang, Yi; Awaga, Kunio; Yoshikawa, Hirofumi; Xiong, Ren-Gen
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 19
• Pages of publication: 9841
• a: 7.1581 ± 0.0014 Å
• b: 8.5937 ± 0.0017 Å
• c: 9.0642 ± 0.0018 Å
• α: 88.74 ± 0.03°
• β: 79.19 ± 0.03°
• γ: 87.02 ± 0.03°
• Cell volume: 546.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0979
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.2001
• Weighted residual factors for all reflections included in the refinement: 0.2151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No