Information card for entry 1515351

Structure parameters

• Formula: C30 H45 N3 O4
• Calculated formula: C29.95 H9 N3 O4
• SMILES: O=C(O)c1ccc(cc1)/N=N/c1ccc(cc1)C(=O)[O-].[NH3+]CCCCCCCCCCCCCCCC
• Title of publication: Reverse thermal gelation of aromatic solvents by a series of easily accessible organic salt based gelators
• Authors of publication: Sahoo, Pathik; Chakraborty, Indrajit; Dastidar, Parthasarathi
• Journal of publication: Soft Matter
• Year of publication: 2012
• Journal volume: 8
• Journal issue: 9
• Pages of publication: 2595
• a: 6.323 ± 0.003 Å
• b: 14.956 ± 0.007 Å
• c: 16.823 ± 0.008 Å
• α: 113.73 ± 0.006°
• β: 95.041 ± 0.007°
• γ: 94.696 ± 0.007°
• Cell volume: 1438.7 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1463
• Residual factor for significantly intense reflections: 0.1073
• Weighted residual factors for significantly intense reflections: 0.3101
• Weighted residual factors for all reflections included in the refinement: 0.3499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.279
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No