Information card for entry 1515350

Structure parameters

• Formula: C29 H43 N3 O4
• Calculated formula: C29 H43 N3 O4
• SMILES: O=C([O-])c1ccc(cc1)N=Nc1ccc(cc1)C(=O)O.[NH3+]CCCCCCCCCCCCCCC
• 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: 6.4221 ± 0.0011 Å
• b: 14.631 ± 0.003 Å
• c: 15.001 ± 0.003 Å
• α: 95.239 ± 0.006°
• β: 94.88 ± 0.007°
• γ: 99.656 ± 0.007°
• Cell volume: 1376.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1428
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1769
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No