Information card for entry 2104059

Structure parameters

• Common name: β-2 PSP
• Chemical name: 1,3-dipalmitoyl-2-stearoylglycerol
• Formula: C53 H102 O6
• Calculated formula: C53 H102 O6
• SMILES: CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC
• 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: 5.4386 ± 0.00005 Å
• b: 12.18024 ± 0.00015 Å
• c: 41.596 ± 0.0009 Å
• α: 88.7263 ± 0.0013°
• β: 93.1027 ± 0.0015°
• γ: 99.9736 ± 0.001°
• Cell volume: 2709.61 ± 0.07 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: 3.64
• Diffraction radiation wavelength: 0.699716 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No