Information card for entry 4113373

Structure parameters

• Formula: C15 H16 Cl4 O2 Sn
• Calculated formula: C15 H16 Cl4 O2 Sn
• SMILES: [Sn]1(Cl)(Cl)(Cl)(Cl)[O](C)[C@H](c2ccccc2)[C@H]([OH]1)c1ccccc1
• Title of publication: The Crystallographic Structure of a Lewis Acid-Assisted Chiral Brønsted Acid as an Enantioselective Protonation Reagent for Silyl Enol Ethers
• Authors of publication: Kazuaki Ishihara; Daisuke Nakashima; Yukihiro Hiraiwa; Hisashi Yamamoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 24 - 25
• a: 8.9736 ± 0.0005 Å
• b: 14.2108 ± 0.0008 Å
• c: 14.8927 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1899.15 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.018
• Residual factor for significantly intense reflections: 0.0175
• Weighted residual factors for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.0441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No