Information card for entry 2100703

Structure parameters

• Common name: SOA beta2
• Chemical name: 1-stearoyl-2-oleoyl-3-arachidoylglycerol
• Formula: C59 H112 O6
• Calculated formula: C58.9996 H112 O6
• SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)CC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC
• 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: 5.4375 ± 0.0003 Å
• b: 135.29 ± 0.03 Å
• c: 8.213 ± 0.0007 Å
• α: 90°
• β: 88.644 ± 0.005°
• γ: 90°
• Cell volume: 6040.1 ± 1.5 ų
• Cell temperature: 298 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: 2.7
• Diffraction radiation wavelength: 1.54059 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes