Information card for entry 4035681

Structure parameters

• Formula: C35 H57 N O5 S Si
• Calculated formula: C35 H57 N O5 S Si
• SMILES: S(=O)(=O)(NC(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)/C=C\[C@H](C)[C@H](O)c1ccccc1)c1ccc(C)cc1.CCCCCC.S(=O)(=O)(NC(=O)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)/C=C\[C@@H](C)[C@@H](O)c1ccccc1)c1ccc(C)cc1.CCCCCC
• Title of publication: Acyclic Remote 1,5- and 1,4,5-Stereocontrol in the Catalytic Stereoselective Reactions of β-Lactams with Aldehydes: The Effect of the N-Methylimidazole Ligand.
• Authors of publication: Plata, Paulina; Klimczak, Urszula; Zambroń, Bartosz K
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 23
• Pages of publication: 14527 - 14552
• a: 19.8813 ± 0.0007 Å
• b: 8.7695 ± 0.0003 Å
• c: 23.6954 ± 0.0008 Å
• α: 90°
• β: 112.551 ± 0.0018°
• γ: 90°
• Cell volume: 3815.4 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1741
• Residual factor for significantly intense reflections: 0.0833
• Weighted residual factors for significantly intense reflections: 0.2348
• Weighted residual factors for all reflections included in the refinement: 0.2747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No