Information card for entry 2104065

Structure parameters

• Common name: β-2 LMM
• Chemical name: 1-lauroyl-2,3-dimeristoylglycerol
• Formula: C43 H82 O6
• Calculated formula: C43 H82 O6
• SMILES: O(C(=O)CCCCCCCCCCC)CC(OC(=O)CCCCCCCCCCCCC)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: 5.44421 ± 0.00006 Å
• b: 11.4534 ± 0.0002 Å
• c: 36.6924 ± 0.001 Å
• α: 90.791 ± 0.003°
• β: 95.527 ± 0.002°
• γ: 97.1768 ± 0.0012°
• Cell volume: 2258.69 ± 0.08 ų
• Cell temperature: 316 K
• Ambient diffraction temperature: 316 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: 1.58
• Diffraction radiation wavelength: 1.25007 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No