Information card for entry 4503844

Structure parameters

• Formula: C21 H41 N O4
• Calculated formula: C21 H41 N O4
• SMILES: [NH3+]CCCCCCCCCCCCCCC.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: 5.3854 ± 0.0007 Å
• b: 9.141 ± 0.0012 Å
• c: 23.383 ± 0.003 Å
• α: 92.944 ± 0.002°
• β: 93.825 ± 0.003°
• γ: 95.689 ± 0.002°
• Cell volume: 1140.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0826
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1775
• Weighted residual factors for all reflections included in the refinement: 0.1944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No