Information card for entry 7209690

Structure parameters

• Formula: C67 H100 N2 O33 P S4 Y
• Calculated formula: C67 H98 N2 O33 P S4 Y
• Title of publication: Micelle to extended multi-component bilayer systems involving decyl and dodecyl imidazolium and pyridinium cations
• Authors of publication: Ling, Irene; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 15
• Pages of publication: 2888
• a: 14.0694 ± 0.0004 Å
• b: 14.3067 ± 0.0005 Å
• c: 20.9333 ± 0.0007 Å
• α: 105.88 ± 0.003°
• β: 95.132 ± 0.002°
• γ: 101.529 ± 0.002°
• Cell volume: 3924.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1768
• Residual factor for significantly intense reflections: 0.151
• Weighted residual factors for significantly intense reflections: 0.3304
• Weighted residual factors for all reflections included in the refinement: 0.3466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No