Information card for entry 4503843

Structure parameters

• Formula: C20 H39 N O4
• Calculated formula: C20 H39 N O4
• SMILES: [NH3+]CCCCCCCCCCCCCC.[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: 5.6014 ± 0.0005 Å
• b: 40.221 ± 0.004 Å
• c: 9.8697 ± 0.0009 Å
• α: 90°
• β: 95.972 ± 0.002°
• γ: 90°
• Cell volume: 2211.5 ± 0.4 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: 0.0667
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No