Information card for entry 2215383

Structure parameters

• Common name: <i>N</i>-[1-(Silatran-1-yl)propyl]pentafluorobenzamide
• Chemical name: <i>N</i>-[3-(5-aza-2,8,9-trioxa-1-silabicyclo[3.3.3]undecan-1-yl)propyl] pentafluorobenzamide
• Formula: C16 H19 F5 N2 O4 Si
• Calculated formula: C16 H19 F5 N2 O4 Si
• SMILES: [Si]123(OCC[N]3(CCO1)CCO2)CCCNC(=O)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: <i>N</i>-[1-(Silatran-1-yl)propyl]pentafluorobenzamide
• Authors of publication: Lahtinen, Tanja; Rissanen, Kari
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4114 - o4114
• a: 15.2027 ± 0.0004 Å
• b: 7.6207 ± 0.0002 Å
• c: 16.2411 ± 0.0004 Å
• α: 90°
• β: 110.568 ± 0.001°
• γ: 90°
• Cell volume: 1761.67 ± 0.08 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes