Information card for entry 4032574

Structure parameters

• Formula: C22 H56 Li2 N2 O2 Si4
• Calculated formula: C22 H56 Li2 N2 O2 Si4
• SMILES: [Si]([N]1([Si](C)(C)C)[Li]([O]2CCCCC2)[N]([Si](C)(C)C)([Si](C)(C)C)[Li]1[O]1CCCCC1)(C)(C)C
• Title of publication: Ligand Binding Constants to Lithium Hexamethyldisilazide (LiHMDS) Determined by Diffusion-ordered NMR Spectroscopy (DOSY).
• Authors of publication: Tai, Onkei; Hopson, Russell; Williard, Paul G.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• a: 9.2754 ± 0.0005 Å
• b: 20.029 ± 0.001 Å
• c: 17.8817 ± 0.0009 Å
• α: 90°
• β: 99.343 ± 0.002°
• γ: 90°
• Cell volume: 3277.9 ± 0.3 ų
• Cell temperature: 173.2 K
• Ambient diffraction temperature: 173.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0602
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No