Information card for entry 4078665

Structure parameters

• Formula: C15 H22 Cl F N2 O3 S Si
• Calculated formula: C15 H22 Cl F N2 O3 S Si
• SMILES: S(=O)(=O)(N1[C@H](C2=[O][Si](F)(C)(C)CN2C)CCC1)c1ccc(cc1)Cl
• Title of publication: Synthesis, Structures, and Stereodynamic Behavior of Novel Pentacoordinate Fluorosilanes: Fluorosilyl Derivatives of Proline
• Authors of publication: Nikolin, Alexei A.; Kramarova, Evgeniya P.; Shipov, Aleksander G.; Baukov, Yuri I.; Negrebetsky, Vadim V.; Korlyukov, Alexander A.; Arkhipov, Dmitry E.; Bowden, Allen; Bylikin, Sergey Yu.; Bassindale, Alan R.; Taylor, Peter G.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 14
• Pages of publication: 4988
• a: 6.2703 ± 0.0004 Å
• b: 16.3805 ± 0.001 Å
• c: 17.9546 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1844.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.031
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No