Information card for entry 4513502

Structure parameters

• Formula: C28 H39 Br N4 O
• Calculated formula: C28 H39 Br N4 O
• SMILES: [Br-].O(c1ccc(cc1)N=Nc1ccc(cc1)C)CC[n+]1cn(CCCCCCCCCC)cc1
• Title of publication: Azobenzene-Based Organic Salts with Ionic Liquid and Liquid Crystalline Properties
• Authors of publication: Stappert, Kathrin; Muthmann, Johanna; Spielberg, Eike T.; Mudring, Anja-Verena
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 9
• Pages of publication: 4701
• a: 10.3616 ± 0.0011 Å
• b: 7.751 ± 0.0009 Å
• c: 35.652 ± 0.004 Å
• α: 90°
• β: 98.168 ± 0.014°
• γ: 90°
• Cell volume: 2834.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1277
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No