Information card for entry 2003673
| Chemical name |
2,3-Dideoxy-D-erythro-hex-2-enono-1,4-lactone |
| Formula |
C6 H8 O4 |
| Calculated formula |
C6 H8 O4 |
| SMILES |
O1C(=O)C=C[C@H]1[C@H](O)CO |
| Title of publication |
2,3-Dideoxy-<small>D</small>-<i>erythro</i>-hex-2-enono-1,5-lactone and 1,4-Lactone Obtained from Tri-<i>O</i>-acetyl-<small>D</small>-glucal |
| Authors of publication |
Fun, H.-K.; Sivakumar, K.; Ang, H.-B.; Sam, T.-W.; Gan, E.-K. |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
1995 |
| Journal volume |
51 |
| Journal issue |
7 |
| Pages of publication |
1330 - 1333 |
| a |
4.558 ± 0.001 Å |
| b |
4.747 ± 0.001 Å |
| c |
8.15 ± 0.002 Å |
| α |
76.92 ± 0.02° |
| β |
75.61 ± 0.02° |
| γ |
82.17 ± 0.02° |
| Cell volume |
165.78 ± 0.07 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
3 |
| Space group number |
1 |
| Hermann-Mauguin space group symbol |
P 1 |
| Hall space group symbol |
P 1 |
| Residual factor for all reflections |
0.0463 |
| Residual factor for significantly intense reflections |
0.0372 |
| Weighted residual factors for all reflections |
0.0944 |
| Weighted residual factors for significantly intense reflections |
0.0916 |
| Goodness-of-fit parameter for all reflections |
0.946 |
| Goodness-of-fit parameter for significantly intense reflections |
1.046 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/2003673.html
