Information card for entry 2203721

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 ų
• 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