Information card for entry 4513499

Structure parameters

• Formula: C26 H35 Br N4 O
• Calculated formula: C26 H35 Br N4 O
• SMILES: [Br-].O(c1ccc(cc1)/N=N/c1ccc(cc1)C)CC[n+]1ccn(CCCCCCCC)c1
• 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: 8.0795 ± 0.001 Å
• b: 12.189 ± 0.0015 Å
• c: 27.647 ± 0.005 Å
• α: 94.311 ± 0.019°
• β: 94.775 ± 0.018°
• γ: 90.653 ± 0.014°
• Cell volume: 2705.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.16
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 0.744
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No