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Information card for entry 2100696
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| Coordinates | 2100696.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | SOA beta1 |
|---|---|
| Chemical name | 1-stearoyl-2-oleoyl-3-arachidoylglycerol |
| Formula | C59 H112 O6 |
| Calculated formula | C59 H112 O6 |
| SMILES | CCCCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC |
| 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 | 5.4393 ± 0.00009 Å |
| b | 134.645 ± 0.009 Å |
| c | 8.1996 ± 0.0002 Å |
| α | 90° |
| β | 88.7349 ± 0.0015° |
| γ | 90° |
| Cell volume | 6003.7 ± 0.4 Å3 |
| Cell temperature | 294 K |
| Ambient diffraction temperature | 294 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 | 3.45 |
| Diffraction radiation wavelength | 0.85019 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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