Information card for entry 2100691

Structure parameters

• Common name: MOM beta1
• Chemical name: 1,3-dimyristoyl-2-oleoylglycerol
• Formula: C49 H92 O6
• Calculated formula: C49 H92 O6
• SMILES: CCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCC
• 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: 5.4534 ± 0.00005 Å
• b: 112.747 ± 0.002 Å
• c: 8.19543 ± 0.00011 Å
• α: 90°
• β: 88.838 ± 0.001°
• γ: 90°
• Cell volume: 5037.96 ± 0.12 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: 7.82
• Diffraction radiation wavelength: 0.79936 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No