Information card for entry 2003033

Structure parameters

• Common name: tripalmitin
• Chemical name: 1,2,3-trihexadecanoyl-glycerol
• Formula: C51 H98 O6
• Calculated formula: C51 H98 O6
• SMILES: CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC
• Title of publication: Structure of mono-acid even-numbered β-triacylglycerols
• Authors of publication: A.J. van Langevelde
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 114 - 122
• a: 5.4514 ± 0.0008 Å
• b: 11.945 ± 0.001 Å
• c: 40.482 ± 0.003 Å
• α: 84.662 ± 0.007°
• β: 86.97 ± 0.01°
• γ: 79.77 ± 0.01°
• Cell volume: 2581.1 ± 0.5 ų
• Cell temperature: 243 K
• Ambient diffraction temperature: 243 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.153
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for all reflections: 0.1
• Weighted residual factors for significantly intense reflections: 0.071
• Goodness-of-fit parameter for all reflections: 0.695
• Goodness-of-fit parameter for significantly intense reflections: 0.803
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No