Information card for entry 7203798

Structure parameters

• Formula: C20 H31 N O2
• Calculated formula: C20 H31 N O2
• SMILES: [NH2+](C1CCCCC1)C1CCCCC1.O=C([O-])c1c(C)cccc1
• Title of publication: Facile preparation and structure‒property correlation of low molecular mass organic gelators derived from simple organic salts
• Authors of publication: Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2005
• Journal volume: 15
• Journal issue: 26
• Pages of publication: 2606
• a: 9.2246 ± 0.001 Å
• b: 10.591 ± 0.0012 Å
• c: 10.7338 ± 0.0011 Å
• α: 101.767 ± 0.002°
• β: 113.837 ± 0.002°
• γ: 90.137 ± 0.002°
• Cell volume: 934.84 ± 0.18 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: 0.0418
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No