Information card for entry 4082556

Structure parameters

• Common name: sjfbk11
• Formula: C22 H18 N2 O4 Si
• Calculated formula: C22 H18 N2 O4 Si
• 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: 18.7178 ± 0.0018 Å
• b: 8.1478 ± 0.0007 Å
• c: 13.7427 ± 0.0013 Å
• α: 90°
• β: 117.542 ± 0.002°
• γ: 90°
• Cell volume: 1858.4 ± 0.3 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No