Information card for entry 2222550

Structure parameters

• Chemical name: (3a<i>R</i>,8a<i>S</i>,9<i>S</i>,9a<i>R</i>)-9- Hydroxyperhydrofuro[3,2-<i>f</i>]indolizin-6-one
• Formula: C10 H15 N O3
• Calculated formula: C10 H15 N O3
• SMILES: C1(=O)CC[C@H]2[C@@H]([C@H]3[C@H](CCO3)CN12)O
• Title of publication: (3a<i>R</i>,8a<i>S</i>,9<i>S</i>,9a<i>R</i>)-9-Hydroxyperhydrofuro[3,2-<i>f</i>]indolizin-6-one
• Authors of publication: Švorc, Ľubomír; Vrábel, Viktor; Žúžiová, Jozefína; Marchalín, Štefan; Kožíšek, Jozef
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1731 - o1732
• a: 6.2856 ± 0.0001 Å
• b: 6.4521 ± 0.0001 Å
• c: 11.7698 ± 0.0002 Å
• α: 90°
• β: 98.631 ± 0.002°
• γ: 90°
• Cell volume: 471.922 ± 0.013 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0402
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes