Information card for entry 2100702

Structure parameters

• Common name: POS beta2
• Chemical name: 1-palmitoyl-2-oleoyl-3-stearoylglycerol
• Formula: C55 H104 O6
• Calculated formula: C55 H104 O6
• SMILES: O(C(=O)CCCCCCCCCCCCCCC)CC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
• Title of publication: Structures of mono-unsaturated triacylglycerols. II. The β~2~ polymorph
• Authors of publication: van Mechelen, Jan B.; Peschar, Rene.; Schenk, Henk.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: 1131 - 1138
• a: 5.4243 ± 0.0002 Å
• b: 126.529 ± 0.012 Å
• c: 8.1206 ± 0.0005 Å
• α: 90°
• β: 88.51 ± 0.003°
• γ: 90°
• Cell volume: 5571.5 ± 0.7 ų
• Cell temperature: 250 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Goodness-of-fit parameter for all reflections: 5.07
• Diffraction radiation wavelength: 0.79948 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes