Information card for entry 4110976

Structure parameters

• Common name: Mg(HMDS)2 Pivalophenone
• Formula: C23 H50 Mg N2 O Si4
• Calculated formula: C23 H50 Mg N2 O Si4
• SMILES: [Mg](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[O]=C(c1ccccc1)C(C)(C)C
• Title of publication: Kinetics and Mechanism of Ketone Enolization Mediated by Magnesium Bis(hexamethyldisilazide)
• Authors of publication: Xuyang He; J. Jacob Morris; Bruce C. Noll; Seth N. Brown; Kenneth W. Henderson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 13599 - 13610
• a: 8.3655 ± 0.0002 Å
• b: 20.6214 ± 0.0006 Å
• c: 18.7658 ± 0.0005 Å
• α: 90°
• β: 100.694 ± 0.001°
• γ: 90°
• Cell volume: 3181.03 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0389
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No