Information card for entry 2202567

Structure parameters

• Chemical name: (1α,6α,7α,7aβ)-2,3,5,6,7,7a-Hexahydro-1,6-epoxy-1H-pyrrolizin-7-ol
• Formula: C7 H11 N O2
• Calculated formula: C7 H11 N O2
• SMILES: O[C@@H]1[C@@H]2O[C@H]3CCN(C2)[C@@H]13.O[C@H]1[C@H]2O[C@@H]3CCN(C2)[C@H]13
• Title of publication: (1α,6α,7α,7aβ)-2,3,5,6,7,7a-Hexahydro-1,6-epoxy-1<i>H</i>-pyrrolizin-7-ol
• Authors of publication: Richard S. Glass; Donald R.Deardorff; Nhu Y. T. Stessman; Carducci, Michael D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: o1270 - o1271
• a: 9.9294 ± 0.0016 Å
• b: 7.291 ± 0.0012 Å
• c: 9.1653 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 663.52 ± 0.19 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes