Information card for entry 2104066

Structure parameters

• Common name: β-2 LLM
• Chemical name: 1,2-dilauroyl-3-meristoylglycerol
• Formula: C41 H78 O6
• Calculated formula: C41 H78 O6
• SMILES: O(C(=O)CCCCCCCCCCC)CC(OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC
• Title of publication: Structures of mono-unsaturated triacylglycerols. III. The β-2 polymorphs of <i>trans</i>-mono-unsaturated triacylglycerols and related fully saturated triacylglycerols
• 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: 240 - 248
• a: 5.46035 ± 0.00009 Å
• b: 12.1468 ± 0.0003 Å
• c: 33.0451 ± 0.0009 Å
• α: 96.186 ± 0.003°
• β: 87.054 ± 0.003°
• γ: 100.48 ± 0.0018°
• Cell volume: 2141.5 ± 0.09 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Goodness-of-fit parameter for all reflections: 6.55
• Diffraction radiation wavelength: 0.800001 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No