Information card for entry 2008598

Structure parameters

• Chemical name: 1-allyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
• Formula: C9 H17 N O3 Si
• Calculated formula: C9 H17 N O3 Si
• Title of publication: Low-temperature structure of allyl silatrane
• Authors of publication: White, Jonathan M.; Jones, Scott
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 962 - 963
• a: 6.8422 ± 0.0008 Å
• b: 12.4 ± 0.001 Å
• c: 12.609 ± 0.001 Å
• α: 90°
• β: 94.825 ± 0.008°
• γ: 90°
• Cell volume: 1066 ± 0.17 ų
• Cell temperature: 130 ± 0.1 K
• Ambient diffraction temperature: 130 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes