Information card for entry 2103142

Structure parameters

• Chemical name: β-1,2,3-tris(nonadecanoyl)glycerol
• Formula: C60 H116 O6
• Calculated formula: C60 H116 O6
• SMILES: O(CC(OC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCCC
• Title of publication: Structure of C~15~-, C~17~- and C~19~-mono-acid β-triacylglycerols
• Authors of publication: Helmholdt, Robert B.; Peschar, René; Schenk, Henk
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: 134 - 139
• a: 11.86797 ± 0.00012 Å
• b: 56.5143 ± 0.0009 Å
• c: 5.42795 ± 0.00005 Å
• α: 73.064 ± 0.001°
• β: 100.02 ± 0.001°
• γ: 120.084 ± 0.001°
• Cell volume: 3011.82 ± 0.07 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
• Goodness-of-fit parameter for all reflections: 3.4
• Diffraction radiation wavelength: 0.850047 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No