Information card for entry 4082554

Structure parameters

• Common name: sjfbk22
• Formula: C18 H26 N2 O4 Si
• Calculated formula: C18 H26 N2 O4 Si
• SMILES: [Si]1([O]=n2c(O1)cccc2)(On1c(=O)cccc1)(C(C)(C)C)C(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: 15.7183 ± 0.0015 Å
• b: 12.804 ± 0.0012 Å
• c: 18.5749 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3738.3 ± 0.6 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No