Information card for entry 2104071

Structure parameters

• Common name: [1_2]β~0~'-2 PSS
• Chemical name: 1-palmitoyl-2,3-disteraoylglycerol
• Formula: C55 H106 O6
• Calculated formula: C55 H106 O6
• SMILES: O(C(=O)CCCCCCCCCCCCCCC)CC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
• 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: 22.6508 ± 0.0006 Å
• b: 5.6532 ± 0.0003 Å
• c: 89.462 ± 0.004 Å
• α: 90°
• β: 90.012 ± 0.006°
• γ: 90°
• Cell volume: 11455.6 ± 0.9 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Goodness-of-fit parameter for all reflections: 3.09
• Diffraction radiation wavelength: 1.54059 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No