Information card for entry 7063176

Structure parameters

• Formula: C9 H20 N O5
• Calculated formula: C9 H20 N O5
• Title of publication: Solvent and Stoichiometry-dependent Versatile Organogelation and Robust Crystallization from Supramolecular Association of Adipic Acid and Triethanolamine
• Authors of publication: Lepcha, Gerald; Pal, Indrajit; Majumdar, Santanu; Dhasmana, Yogesh; Mondal, Sanjay; Zangrando, Ennio; Chopra, Deepak; Dey, Biswajit
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 5.4015 ± 0.0008 Å
• b: 14.376 ± 0.002 Å
• c: 14.421 ± 0.002 Å
• α: 90°
• β: 94.264 ± 0.007°
• γ: 90°
• Cell volume: 1116.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0525
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No