Information card for entry 1565834

Structure parameters

• Formula: C10 H14 O4
• Calculated formula: C10 H14 O4
• SMILES: O1C(=O)[C@]2(C([C@]1(C(=O)O)CC2)(C)C)C
• Title of publication: An organic plastic ferroelectric with high Curie point
• Authors of publication: Ai, Yong; Li, Peng-Fei; Yang, Meng-Juan; Xu, Yu-Qiu; Li, Meng-Zhen; Xiong, Ren-Gen
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 748 - 753
• a: 6.3879 ± 0.0002 Å
• b: 10.8484 ± 0.0003 Å
• c: 7.6137 ± 0.0003 Å
• α: 90°
• β: 103.203 ± 0.003°
• γ: 90°
• Cell volume: 513.67 ± 0.03 ų
• Cell temperature: 373.01 ± 0.11 K
• Ambient diffraction temperature: 373.01 ± 0.11 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.2882
• Weighted residual factors for all reflections included in the refinement: 0.2892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.416
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No