Information card for entry 7113740

Structure parameters

• Common name: AcNH-C4Ser-CH2O-SiPh2tBu
• Chemical name: AcNH-C4Ser-CH2O-SiPh2tBu
• Formula: C23 H31 N O3 Si
• Calculated formula: C23 H31 N O3 Si
• SMILES: [Si](OC[C@@]1(NC(=O)C)CC[C@H]1O)(c1ccccc1)(C(C)(C)C)c1ccccc1.[Si](OC[C@]1(NC(=O)C)CC[C@@H]1O)(c1ccccc1)(C(C)(C)C)c1ccccc1
• Title of publication: Reactivity of 2-acylaminoacrylates with ketene diethyl acetal; [2 + 2] cycloadditions vs. tandem condensations
• Authors of publication: Avenoza, Alberto; Busto, Jesús H.; Canal, Noelia; Peregrina, Jesús M.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 1376 - 1377
• a: 15.881 ± 0.0003 Å
• b: 8.831 ± 0.0002 Å
• c: 18.638 ± 0.0004 Å
• α: 90°
• β: 121.089 ± 0.0009°
• γ: 90°
• Cell volume: 2238.44 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0682
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103701
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No