Information card for entry 2100694

Structure parameters

• Common name: SOS-beta-1
• Chemical name: 1,3-distearoyl-2-oleoylglycerol
• Formula: C57 H108 O6
• Calculated formula: C57 H108 O6
• SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
• Title of publication: Structures of mono-unsaturated triacylglycerols. I. The β~1~ 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: 1121 - 1130
• a: 5.44231 ± 0.00012 Å
• b: 129.903 ± 0.01 Å
• c: 8.1837 ± 0.0003 Å
• α: 90°
• β: 88.7141 ± 0.0019°
• γ: 90°
• Cell volume: 5784.2 ± 0.5 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Goodness-of-fit parameter for all reflections: 3.66
• Diffraction radiation wavelength: 0.75003 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No