Information card for entry 2226537

Structure parameters

• Chemical name: (6<i>S</i>,7<i>S</i>,8<i>R</i>,8a<i>S</i>)-6-Ethylperhydroindolizine-7,8-diol
• Formula: C10 H19 N O2
• Calculated formula: C10 H19 N O2
• SMILES: C1CC[C@H]2[C@H]([C@H]([C@H](CN12)CC)O)O
• Title of publication: (6<i>S</i>,7<i>S</i>,8<i>R</i>,8a<i>S</i>)-6-Ethylperhydroindolizine-7,8-diol
• Authors of publication: Švorc, Ľubomír; Vrábel, Viktor; Žúžiová, Jozefína; Marchalín, Štefan; Kožíšek, Jozef
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1666
• a: 7.20849 ± 0.00017 Å
• b: 8.83039 ± 0.00019 Å
• c: 15.6656 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 997.17 ± 0.04 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0401
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes