Information card for entry 4082549

Structure parameters

• Common name: sjfbk12
• Formula: C8 H13 N O2 Si
• Calculated formula: C8 H13 N O2 Si
• SMILES: [Si](On1c(=O)cccc1)(C)(C)C
• Title of publication: Chelation and Stereodynamic Equilibria in Neutral Hypercoordinate Organosilicon Complexes of 1-Hydroxy-2-pyridinone
• Authors of publication: Kraft, Bradley M.; Brennessel, William W.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 1
• Pages of publication: 158
• a: 13.385 ± 0.002 Å
• b: 6.4788 ± 0.0011 Å
• c: 11.198 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 971.1 ± 0.3 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No