Crystallography Open Database

Information card for entry 2203721

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Structure parameters

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 F_obs	Yes

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