Information card for entry 1566420

Structure parameters

• Formula: C25 H33 N O6 S Si
• Calculated formula: C25 H33 N O6 S Si
• SMILES: S(=O)(=O)(N1c2cc(OC)ccc2[C@]2(O[Si](C(C)(C)C)(C)C)[C@@H](C(=O)OC)[C@H]12)c1ccc(cc1)C.S(=O)(=O)(N1c2cc(OC)ccc2[C@@]2(O[Si](C(C)(C)C)(C)C)[C@H](C(=O)OC)[C@@H]12)c1ccc(cc1)C
• Title of publication: Intramolecular Photochemical [2+1]-Cycloadditions of Nucleophilic Siloxy Carbenes
• Authors of publication: Bunyamin, Amanda; Hua, Carol; Polyzos, Anastasios; Priebbenow, Daniel
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 9.1233 ± 0.0002 Å
• b: 11.1747 ± 0.0002 Å
• c: 13.3729 ± 0.0003 Å
• α: 92.8956 ± 0.0018°
• β: 109.796 ± 0.002°
• γ: 90.2891 ± 0.0018°
• Cell volume: 1280.81 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No