Information card for entry 2204784

Structure parameters

• Chemical name: (3aS,8aS,9R,9aS)-9-Hydroxy-2,3,3a,7,8,8a,9,9a-octahydrofuro[3,2-f]indolizin- 6(4H)-one
• Formula: C10 H15 N O3
• Calculated formula: C10 H15 N O3
• SMILES: O1CC[C@H]2CN3C(=O)CC[C@H]3[C@H]([C@@H]12)O
• Title of publication: (3a<i>S</i>,8a<i>S</i>,9<i>R</i>,9a<i>S</i>)-9-Hydroxy-2,3,3a,7,8,8a,9,9a-octahydrofuro[3,2-<i>f</i>]indolizin-6(4<i>H</i>)-one
• Authors of publication: Vrábel, Viktor; Kožíšek, Jozef; Langer, Vratislav; Marchalín, Štefan; Szemes, Fridrich
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2211 - o2213
• a: 5.3003 ± 0.0003 Å
• b: 10.354 ± 0.0005 Å
• c: 8.5137 ± 0.0004 Å
• α: 90°
• β: 96.127 ± 0.001°
• γ: 90°
• Cell volume: 464.56 ± 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: 0.0924
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes