Information card for entry 2202567
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| Chemical name |
(1α,6α,7α,7aβ)-2,3,5,6,7,7a-Hexahydro-1,6-epoxy-1H-pyrrolizin-7-ol |
| Formula |
C7 H11 N O2 |
| Calculated formula |
C7 H11 N O2 |
| SMILES |
O[C@@H]1[C@@H]2O[C@H]3CCN(C2)[C@@H]13.O[C@H]1[C@H]2O[C@@H]3CCN(C2)[C@H]13 |
| Title of publication |
(1α,6α,7α,7aβ)-2,3,5,6,7,7a-Hexahydro-1,6-epoxy-1<i>H</i>-pyrrolizin-7-ol |
| Authors of publication |
Richard S. Glass; Donald R.Deardorff; Nhu Y. T. Stessman; Carducci, Michael D. |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2003 |
| Journal volume |
59 |
| Journal issue |
9 |
| Pages of publication |
o1270 - o1271 |
| a |
9.9294 ± 0.0016 Å |
| b |
7.291 ± 0.0012 Å |
| c |
9.1653 ± 0.0015 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
663.52 ± 0.19 Å3 |
| Cell temperature |
200 ± 2 K |
| Ambient diffraction temperature |
200 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
33 |
| Hermann-Mauguin space group symbol |
P n a 21 |
| Hall space group symbol |
P 2c -2n |
| Residual factor for all reflections |
0.0385 |
| Residual factor for significantly intense reflections |
0.032 |
| Weighted residual factors for significantly intense reflections |
0.0767 |
| Weighted residual factors for all reflections included in the refinement |
0.0809 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.065 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
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