Information card for entry 4037139

Structure parameters

• Formula: C29 H49 N O5 Si2
• Calculated formula: C29 H49 N O5 Si2
• SMILES: O=C1N(C[C@H]1[C@@]1(C=C[C@H](CC1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OCc1ccc(cc1)OC
• Title of publication: Studies of Azetidin-2-one as a Reactive Enolate Synthon of β-Alanine for Condensations with Aldehydes and Ketones.
• Authors of publication: Williams, David R.; Donnell, Andrew F.; Kammler, David C.; Ward, Sarah A.; Taylor, 4th, Levin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 21
• Pages of publication: 10463 - 10475
• a: 15.739 ± 0.007 Å
• b: 6.567 ± 0.003 Å
• c: 16.007 ± 0.007 Å
• α: 90°
• β: 104.164 ± 0.011°
• γ: 90°
• Cell volume: 1604.2 ± 1.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.3227
• Residual factor for significantly intense reflections: 0.1099
• Weighted residual factors for significantly intense reflections: 0.2236
• Weighted residual factors for all reflections included in the refinement: 0.2695
• Goodness-of-fit parameter for all reflections included in the refinement: 0.845
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No