Information card for entry 7228199

Structure parameters

• Common name: N-methylpyrrolidinium hydrogen tartrate (NMPHT)
• Formula: C9 H17 N O6
• Calculated formula: C9 H17 N O6
• SMILES: O[C@H](C(=O)[O-])[C@H](O)C(=O)O.[NH+]1(CCCC1)C.O[C@@H](C(=O)[O-])[C@@H](O)C(=O)O.[NH+]1(CCCC1)C
• Title of publication: N-Methylpyrrolidinium hydrogen tartrate (NMPHT): an above-room-temperature order‒disorder molecular switchable dielectric material
• Authors of publication: Zeb, Aurang; Khan, Tariq; Asghar, Muhammad Adnan; Sun, Zhihua; Wu, Zhenyue; Zhao, Sangen; Luo, Junhua
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 39
• Pages of publication: 24368
• a: 11.3346 ± 0.0004 Å
• b: 8.7794 ± 0.0003 Å
• c: 12.0991 ± 0.0004 Å
• α: 90°
• β: 106.683 ± 0.004°
• γ: 90°
• Cell volume: 1153.31 ± 0.07 ų
• Cell temperature: 260 ± 2 K
• Ambient diffraction temperature: 260 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.229
• Weighted residual factors for all reflections included in the refinement: 0.2435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No