Information card for entry 2103141

Structure parameters

• Chemical name: β-1,2,3-tris(heptadecanoyl)glycerol
• Formula: C54 H104 O6
• Calculated formula: C54 H104 O6
• SMILES: O(CC(OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCC
• 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: 11.86642 ± 0.00018 Å
• b: 51.4495 ± 0.0011 Å
• c: 5.43208 ± 0.00007 Å
• α: 72.765 ± 0.002°
• β: 100.095 ± 0.001°
• γ: 120.577 ± 0.002°
• Cell volume: 2725.82 ± 0.1 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
• Diffraction radiation wavelength: 0.850047 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No