Information card for entry 7205148

Structure parameters

• Formula: C12 H17 N O6
• Calculated formula: C12 H17 N O6
• SMILES: CCc1ccc(cc1)[NH3+].C(=O)([C@@H]([C@H](C(=O)[O-])O)O)O
• Title of publication: Organic salt of hydrogen l-tartaric acid: a novel wide-temperature-range ferroelectrics with a reversible phase transition
• Authors of publication: Wu, De-Hong; Ge, Jia-Zhen; Cai, Hong-Lin; Zhang, Wen; Xiong, Ren-Gen
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 319
• a: 6.0782 ± 0.0012 Å
• b: 7.4777 ± 0.0015 Å
• c: 14.9506 ± 0.001 Å
• α: 87.655 ± 0.01°
• β: 82.692 ± 0.01°
• γ: 71.802 ± 0.001°
• Cell volume: 640.29 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1029
• 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