Information card for entry 7058453

Structure parameters

• Formula: C25 H28 N2 O18
• Calculated formula: C25 H28 N2 O18
• Title of publication: Effect of carbon-skeleton isomerism on the dielectric properties and proton conduction of organic cocrystal compounds assembled from 1,2,4,5-benzenetetracarboxylic acid and piperazine derivatives
• Authors of publication: Liang, Xiaoqiang; Chen, Yixiang; Wang, Li; Zhang, Feng; Fan, Zenglu; Cao, Tingting; Cao, Yaya; Zhu, Huifang; He, Xinyue; Deng, Bolin; You, Yazhi; Dong, Yu; Zhao, Yamei
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 28
• Pages of publication: 11099
• a: 8.537 ± 0.0012 Å
• b: 8.7025 ± 0.0012 Å
• c: 9.7295 ± 0.0018 Å
• α: 84.792 ± 0.003°
• β: 88.545 ± 0.002°
• γ: 68.948 ± 0.002°
• Cell volume: 671.79 ± 0.18 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No