Information card for entry 7250463

Structure parameters

• Formula: C16 H26 N2 O11
• Calculated formula: C16 H26 N2 O11
• Title of publication: Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids
• Authors of publication: Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 27
• Pages of publication: 4686 - 4698
• a: 8.0431 ± 0.0007 Å
• b: 14.8328 ± 0.0012 Å
• c: 16.9537 ± 0.0014 Å
• α: 90°
• β: 98.675 ± 0.004°
• γ: 90°
• Cell volume: 1999.5 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0609
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No