Information card for entry 2203820

Structure parameters

• Chemical name: 2,4,4a,5,6,7,9,9a-Octahydrofuro[2,3-f]indolizin-7-one
• Formula: C10 H13 N O2
• Calculated formula: C10 H13 N O2
• SMILES: O1CC=C2C[C@@H]3CCC(=O)N3C[C@@H]12
• Title of publication: 2,4,4a,5,6,7,9,9a-Octahydrofuro[2,3-<i>f</i>]indolizin-7-one
• Authors of publication: Vrábel, Viktor; Kožíšek, Jozef; Langer, Vratislav; Marchalín, Štefan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: o932 - o933
• a: 6.6561 ± 0.0002 Å
• b: 11.1986 ± 0.0003 Å
• c: 11.8739 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 885.07 ± 0.04 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.051
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes