Information card for entry 4503842

Structure parameters

• Formula: C19 H37 N O4
• Calculated formula: C19 H37 N O4
• SMILES: [NH3+]CCCCCCCCCCCCC.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: 5.3862 ± 0.0006 Å
• b: 9.1442 ± 0.0011 Å
• c: 21.55 ± 0.003 Å
• α: 96.785 ± 0.002°
• β: 91.003 ± 0.002°
• γ: 95.777 ± 0.002°
• Cell volume: 1048.1 ± 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: 0.0789
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1877
• Weighted residual factors for all reflections included in the refinement: 0.2012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No