Information card for entry 2236176

Structure parameters

• Chemical name: (8a<i>R</i>,9<i>R</i>)-9-Hydroxy-7,8,8a,9- tetrahydrofuro[3,2-<i>f</i>]indolizin-6(4<i>H</i>)-one
• Formula: C10 H11 N O3
• Calculated formula: C10 H11 N O2.99925
• SMILES: O=C1CC[C@H]2N1Cc1ccoc1[C@@H]2O
• Title of publication: (8a<i>R</i>,9<i>R</i>)-9-Hydroxy-7,8,8a,9-tetrahydrofuro[3,2-<i>f</i>]indolizin-6(4<i>H</i>)-one
• Authors of publication: Vrábel, Viktor; Švorc, Ľubomír; Šafář, Peter; Sivý, Július; Jozefína, Žúžiová
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o3034 - o3035
• a: 14.7603 ± 0.001 Å
• b: 15.1301 ± 0.0017 Å
• c: 16.2847 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3636.8 ± 0.5 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: 0.0415
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes