Information card for entry 2104067

Structure parameters

• Common name: [1-2]β'~1~-2 PEP
• Chemical name: 1,3-dipalmitoyl-2-elaidoylglycerol
• Formula: C53 H100 O6
• Calculated formula: C53 H100 O6
• Title of publication: Structures of mono-unsaturated triacylglycerols. IV. The highest melting β'-2 polymorphs of <i>trans</i>-mono-unsaturated triacylglycerols and related saturated TAGs and their polymorphic stability
• Authors of publication: van Mechelen, Jan B.; Peschar, Rene; Schenk, Henk
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: 249 - 259
• a: 22.7149 ± 0.0005 Å
• b: 5.65579 ± 0.00019 Å
• c: 85.11 ± 0.004 Å
• α: 90°
• β: 90.204 ± 0.013°
• γ: 90°
• Cell volume: 10934.1 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Goodness-of-fit parameter for all reflections: 4.89
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No