Information card for entry 4513501

Structure parameters

• Formula: C30 H43 Br N4 O
• Calculated formula: C30 H43 Br N4 O
• SMILES: [Br-].O(c1ccc(N=Nc2ccc(cc2)C)cc1)CC[n+]1cn(cc1)CCCCCCCCCCCC
• 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: 6.854 ± 0.005 Å
• b: 8.234 ± 0.006 Å
• c: 27.248 ± 0.018 Å
• α: 90.876 ± 0.009°
• β: 90.872 ± 0.009°
• γ: 109.433 ± 0.007°
• Cell volume: 1449.7 ± 1.8 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No