Information card for entry 4503840

Structure parameters

• Formula: C17 H33 N O4
• Calculated formula: C17 H33 N O4
• SMILES: [NH3+]CCCCCCCCCCC.O=C([O-])C1(C(=O)O)CCC1
• Title of publication: Structures and Gelation Properties of a Series of Salts Derived from an Alicyclic Dicarboxylic Acid and n-Alkyl Primary Amines
• Authors of publication: Ballabh, Amar; Adalder, Tapas Kumar; Dastidar, Parthasarathi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 11
• Pages of publication: 4144
• a: 5.3876 ± 0.0008 Å
• b: 9.1495 ± 0.0013 Å
• c: 19.829 ± 0.003 Å
• α: 78.674 ± 0.002°
• β: 87.807 ± 0.002°
• γ: 84.213 ± 0.002°
• Cell volume: 953.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.0745
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1891
• Weighted residual factors for all reflections included in the refinement: 0.2026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No