Information card for entry 7115997

Structure parameters

• Formula: C18 H42 N5 O1.5
• Calculated formula: C18 H42 N5 O1.5
• SMILES: C(CCCCCCCC[NH3+])CCCCCCC.c1([n-]nnn1)C.O.O
• Title of publication: Dual-responsive two-component supramolecular gels for self-healing materials and oil spill recovery
• Authors of publication: Liwei Yan; Guangzhe Li; Zhongbin Ye; Feng Tian; Shihong Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 14839
• a: 7.2825 ± 0.0001 Å
• b: 14.9699 ± 0.0002 Å
• c: 42.2469 ± 0.0008 Å
• α: 90°
• β: 93.473 ± 0.002°
• γ: 90°
• Cell volume: 4597.23 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0872
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.2078
• Weighted residual factors for all reflections included in the refinement: 0.2185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No