Information card for entry 2104261

Structure parameters

• Common name: β~2~-3 LaOLa
• Chemical name: 1,3-dilauroyl-2-oleoylglycerol
• Formula: C45 H84 O6
• Calculated formula: C45 H84 O6
• SMILES: O(C(=O)CCCCCCCCCCC)CC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCC
• Title of publication: Structures of mono-unsaturated triacylglycerols. V. The β'~1~-2, β'-3 and β~2~-3 polymorphs of 1,3-dilauroyl-2-oleoylglycerol (LaOLa) from synchrotron and laboratory powder diffraction data
• Authors of publication: van Mechelen, Jan B.; Goubitz, Kees; Pop, Mihaela; Peschar, Rene; Schenk, Henk
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: 771 - 779
• a: 5.4489 ± 0.00006 Å
• b: 104.424 ± 0.003 Å
• c: 8.1428 ± 0.00014 Å
• α: 90°
• β: 88.5014 ± 0.0011°
• γ: 90°
• Cell volume: 4631.64 ± 0.16 ų
• Cell temperature: 243 K
• Ambient diffraction temperature: 243 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: 2.49
• Diffraction radiation wavelength: 0.850047 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes