Information card for entry 7239140

Structure parameters

• Formula: C22 H41 Br N2 O2
• Calculated formula: C22 H41 Br N2 O2
• Title of publication: The roles of betaine-ester analogues of 1-N-alkyl-3-N′-methyl imidazolium salts: as amphotropic ionic liquid crystals and organogelators
• Authors of publication: Tseng, Jing C. W.; Rondla, Rohini; Su, Padi Y. S.; Lin, Ivan J. B.
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 47
• Pages of publication: 25151
• a: 22.834 ± 0.007 Å
• b: 8.194 ± 0.003 Å
• c: 13.429 ± 0.004 Å
• α: 90°
• β: 98.048 ± 0.008°
• γ: 90°
• Cell volume: 2487.8 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1492
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No