Information card for entry 7158939

Structure parameters

• Formula: C24 H35 N O3 Si
• Calculated formula: C24 H35 N O3 Si
• SMILES: [Si](O[C@@]12[C@@H]3C(=O)N(C(=O)[C@@H]3[C@H]2CC[C@H](C1)C)Cc1ccccc1)(C)(C)C(C)(C)C
• Title of publication: Oxathiaborolium-catalyzed enantioselective [2 + 2] cycloadditions
• Authors of publication: Mukhopadhyay, Soumendranath; Boobalan, Ramalingam; Chein, Rong-Jie
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 6.4355 ± 0.0001 Å
• b: 11.0753 ± 0.0002 Å
• c: 32.5101 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2317.16 ± 0.06 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0262
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No