Information card for entry 4070988

Structure parameters

• Formula: C33 H55 Ca N O4 Si2
• Calculated formula: C33 H55 Ca N O4 Si2
• SMILES: [Ca](N([Si](C)(C)C)[Si](C)(C)C)(O/C(=C\c1ccccc1)Cc1ccccc1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Regio- and Stereoselective Enolizations Using Calcium Bis(hexamethyldisilazide) as a Base: Synthetic, Solid-State, and Solution Studies
• Authors of publication: He, Xuyang; Hurley, Erin; Noll, Bruce C.; Henderson, Kenneth W.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 3094
• a: 8.5176 ± 0.0003 Å
• b: 19.9843 ± 0.0007 Å
• c: 10.2846 ± 0.0004 Å
• α: 90°
• β: 98.502 ± 0.002°
• γ: 90°
• Cell volume: 1731.39 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No