Information card for entry 7238701

Structure parameters

• Formula: C29 H49 N O4 S
• Calculated formula: C29 H49 N O4 S
• Title of publication: Quinolinium and isoquinolinium ionic liquid crystals
• Authors of publication: Lava, Kathleen; Evrard, Yannick; Hecke, Kristof Van; Meervelt, Luc Van; Binnemans, Koen
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 21
• Pages of publication: 8061
• a: 8.0982 ± 0.0002 Å
• b: 8.6854 ± 0.0002 Å
• c: 23.0307 ± 0.0005 Å
• α: 96.833 ± 0.001°
• β: 98.696 ± 0.001°
• γ: 104.907 ± 0.001°
• Cell volume: 1526.1 ± 0.06 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: 0.1377
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.1885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No