Information card for entry 7035528

Structure parameters

• Formula: C9 H8 F15 N Si
• Calculated formula: C9 H8 F15 N Si
• SMILES: [Si](C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)CN(C)C
• Title of publication: Pentafluoroethyl-substituted α-silanes: model compounds for new insights.
• Authors of publication: Waerder, Benedikt; Steinhauer, Simon; Bader, Julia; Neumann, Beate; Stammler, Hans-Georg; Vishnevskiy, Yury V.; Hoge, Berthold; Mitzel, Norbert W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 29
• Pages of publication: 13347 - 13358
• a: 7.6077 ± 0.0003 Å
• b: 15.7881 ± 0.0007 Å
• c: 12.7448 ± 0.0006 Å
• α: 90°
• β: 92.425 ± 0.004°
• γ: 90°
• Cell volume: 1529.42 ± 0.12 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 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: 0.0567
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No