Information card for entry 2203721
Chemical name |
(3aS,5aR,10aS,11aR)-2,2-Dimethyl-3a,9,10,10a,11,11a-hexahydro- 5aH-1,3-dioxolo[4,5:3',4']furo[2',3'-f]indolizin-8(4H)-one |
Formula |
C13 H19 N O4 |
Calculated formula |
C13 H19 N O4 |
SMILES |
O1C[C@@H]2OC(O[C@]32C[C@H]2N(C(=O)CC2)C[C@@H]13)(C)C |
Title of publication |
(3a<i>S</i>,5a<i>R</i>,10a<i>S</i>,11a<i>R</i>)-2,2-Dimethyl-3a,9,10,10a,11,11a-hexahydro-5a<i>H</i>-1,3-dioxolo[4,5:3',4']furo[2',3'-<i>f</i>]indolizin-8(4<i>H</i>)-one |
Authors of publication |
Vrábel, Viktor; Kožíšek, Jozef; Langer, Vratislav; Marchalín, Štefan; Bobošíková, Maria |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2004 |
Journal volume |
60 |
Journal issue |
6 |
Pages of publication |
o1069 - o1071 |
a |
5.9465 ± 0.0001 Å |
b |
17.7167 ± 0.0003 Å |
c |
11.8918 ± 0.0002 Å |
α |
90° |
β |
90.037 ± 0.001° |
γ |
90° |
Cell volume |
1252.83 ± 0.04 Å3 |
Cell temperature |
183 ± 2 K |
Ambient diffraction temperature |
183 ± 2 K |
Number of distinct elements |
4 |
Space group number |
4 |
Hermann-Mauguin space group symbol |
P 1 21 1 |
Hall space group symbol |
P 2yb |
Residual factor for all reflections |
0.0431 |
Residual factor for significantly intense reflections |
0.0354 |
Weighted residual factors for significantly intense reflections |
0.0784 |
Weighted residual factors for all reflections included in the refinement |
0.0822 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.038 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2203721.html