Information card for entry 2100692

Structure parameters

• Common name: POP beta1
• Chemical name: 1,3-dipalmitoyl-2-oleoylglycerol
• Formula: C53 H100 O6
• Calculated formula: C53 H100 O6
• SMILES: C(C(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
• 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: 5.45004 ± 0.00015 Å
• b: 121.319 ± 0.009 Å
• c: 8.209 ± 0.0003 Å
• α: 90°
• β: 88.851 ± 0.002°
• γ: 90°
• Cell volume: 5426.6 ± 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: 6.02
• Diffraction radiation wavelength: 0.79889 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No