Information card for entry 2212499

Structure parameters

• Chemical name: (3aR,4R,4aS,9aR)-4-Hydroxyperhydrofuro[2,3-f]indolizin-7(2H)-one
• Formula: C10 H15 N O3
• Calculated formula: C10 H15 N O3
• SMILES: N12C(=O)CC[C@H]1[C@@H]([C@@H]1[C@H](C2)OCC1)O
• Title of publication: (3a<i>R</i>,4<i>R</i>,4a<i>S</i>,9a<i>R</i>)-4-Hydroxyperhydrofuro[2,3-<i>f</i>]indolizin-7(2<i>H</i>)-one
• Authors of publication: Švorc, Ľubomír; Vrábel, Viktor; Kožíšek, Jozef; Marchalín, Štefan; Žúžiová, Jozefína
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1452 - o1454
• a: 8.3423 ± 0.0002 Å
• b: 8.6807 ± 0.0002 Å
• c: 13.7985 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 999.25 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0912
• 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