Information card for entry 1501923

Structure parameters

• Formula: C128 H112 Na2 O16 P2 Si4
• Calculated formula: C128 H112 Na2 O16 P2 Si4
• SMILES: [Na]([O]=C(C)OCC)([O]=P1(Oc2c(c3ccccc3cc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c2c(O1)c([Si](c1ccccc1)(c1ccccc1)c1ccccc1)cc1c2cccc1)O[Na]1[O]=C(C)OCC)OP2(=[O]1)Oc1c(c3ccccc3cc1[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(O2)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2c1cccc2.O=C(C)OCC.O=C(C)OCC
• Title of publication: Enantioselective haloetherification by asymmetric opening of meso-halonium ions.
• Authors of publication: Hennecke, Ulrich; Müller, Christian H; Fröhlich, Roland
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 860 - 863
• a: 14.2979 ± 0.0002 Å
• b: 14.5398 ± 0.0002 Å
• c: 15.7308 ± 0.0003 Å
• α: 71.49 ± 0.001°
• β: 87.882 ± 0.001°
• γ: 65.423 ± 0.001°
• Cell volume: 2802.94 ± 0.08 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1633
• Weighted residual factors for all reflections included in the refinement: 0.1767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No