Information card for entry 1504138

Structure parameters

• Formula: C27 H27 Br N2 O6 S Si
• Calculated formula: C27 H27 Br N2 O6 S Si
• SMILES: Brc1c([C@H]([C@]2(C(=CC(=O)O2)[Si](c2ccccc2)(C)C)CC)NS(=O)(=O)c2ccc(cc2)N(=O)=O)cccc1.Brc1c([C@@H]([C@@]2(C(=CC(=O)O2)[Si](c2ccccc2)(C)C)CC)NS(=O)(=O)c2ccc(cc2)N(=O)=O)cccc1
• Title of publication: Synthesis of enantioenriched homopropargylic sulfonamides by a three component reaction of aldehydes, sulfonamides, and chiral allenylsilanes.
• Authors of publication: Brawn, Ryan A.; Panek, James S.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 19
• Pages of publication: 4362 - 4365
• a: 15.3551 ± 0.0014 Å
• b: 21.005 ± 0.002 Å
• c: 17.9066 ± 0.0016 Å
• α: 90°
• β: 92.464 ± 0.004°
• γ: 90°
• Cell volume: 5770.1 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1562
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.21
• Weighted residual factors for all reflections included in the refinement: 0.3271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.45
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No