Information card for entry 4513671

Structure parameters

• Formula: C35 H63.25 N3 O4.25 S
• Calculated formula: C35 H63.328 N3 O4.164 S
• Title of publication: Mesophase Stabilization in Ionic Liquid Crystals through Pairing Equally Shaped Mesogenic Cations and Anions
• Authors of publication: Stappert, Kathrin; Lipinski, Gregor; Kopiec, Gabriel; Spielberg, Eike T.; Mudring, Anja-Verena
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 5388
• a: 8.5428 ± 0.0001 Å
• b: 10.3685 ± 0.0002 Å
• c: 41.7163 ± 0.0006 Å
• α: 95.789 ± 0.001°
• β: 93.071 ± 0.001°
• γ: 98.116 ± 0.001°
• Cell volume: 3630.76 ± 0.1 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0414
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No