Information card for entry 4503839

Structure parameters

• Formula: C16 H31 N O4
• Calculated formula: C16 H31 N O4
• SMILES: [NH3+]CCCCCCCCCC.[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: 5.627 ± 0.0008 Å
• b: 33.127 ± 0.005 Å
• c: 9.8672 ± 0.0014 Å
• α: 90°
• β: 96.245 ± 0.002°
• γ: 90°
• Cell volume: 1828.4 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1684
• Weighted residual factors for all reflections included in the refinement: 0.1835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No