Information card for entry 2214674

Structure parameters

• Chemical name: rac-N-(6a-Butyl-6-chloro-2-oxoperhydrofuro[3,2-b]furan-3-yl)-2,2,2- trifluoroacetamide
• Formula: C12 H15 Cl F3 N O4
• Calculated formula: C12 H15 Cl F3 N O4
• Title of publication: <i>rac</i>-<i>N</i>-(6a-Butyl-6-chloro-2-oxoperhydrofuro[3,2-<i>b</i>]furan-3-yl)-2,2,2-trifluoroacetamide
• Authors of publication: Erdsack, Jörg; Schürmann, Markus; Preut, Hans; Krause, Norbert
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3372 - o3372
• a: 7.674 ± 0.003 Å
• b: 9.586 ± 0.003 Å
• c: 11.59 ± 0.004 Å
• α: 66.904 ± 0.013°
• β: 76.782 ± 0.014°
• γ: 71.684 ± 0.013°
• Cell volume: 739.1 ± 0.5 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1384
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes