Information card for entry 4507014

Structure parameters

• Formula: C28 H40 N4 O4
• Calculated formula: C28 H40 N4 O4
• SMILES: C(=O)(c1ccc(cc1)/N=N/c1ccc(C(=O)[O-])cc1)[O-].C[NH2+]C1CCCCC1.C[NH2+]C1CCCCC1
• Title of publication: Secondary Ammonium Dicarboxylate (SAD)—A Supramolecular Synthon in Designing Low Molecular Weight Gelators Derived from Azo-Dicarboxylates
• Authors of publication: Sahoo, Pathik; Dastidar, Parthasarathi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 5917
• a: 6.4485 ± 0.0017 Å
• b: 8.177 ± 0.002 Å
• c: 13.989 ± 0.004 Å
• α: 101.84 ± 0.004°
• β: 95.145 ± 0.005°
• γ: 103.562 ± 0.004°
• Cell volume: 694.4 ± 0.3 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: 0.0932
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.2081
• Weighted residual factors for all reflections included in the refinement: 0.2211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No