Information card for entry 4129346

Structure parameters

• Formula: C32 H76 Li2 N2 O6 Si4
• Calculated formula: C32 H76 Li2 N2 O6 Si4
• SMILES: C(C)(C)(C)[Si@]1(N2CCC[C@H]2C[O](C)[Li]2([CH2]([Si](C)(C)C)[Li]3([CH2]2[Si](C)(C)C)[O](C)[Si@@](C(C)(C)C)(N2CCC[C@H]2C[O]3C)OC)[O]1C)OC
• Title of publication: Stereocontrol in nucleophilic substitution reactions at silicon: the role of permutation in generating silicon-centered chirality.
• Authors of publication: Bauer, Jonathan O.; Strohmann, Carsten
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 13
• Pages of publication: 4304 - 4307
• a: 9.3843 ± 0.0002 Å
• b: 9.3843 ± 0.0002 Å
• c: 51.04 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4494.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No