Information card for entry 1566422

Structure parameters

• Formula: C23 H29 N O6 S Si
• Calculated formula: C23 H29 N O6 S Si
• SMILES: S(=O)(=O)(N1c2c([C@]3(O[Si](C)(C)C)[C@H](C1)[C@H]3C(=O)OC)ccc(OC)c2)c1ccc(cc1)C.S(=O)(=O)(N1c2c([C@@]3(O[Si](C)(C)C)[C@@H](C1)[C@@H]3C(=O)OC)ccc(OC)c2)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: 45.775 ± 0.009 Å
• b: 5.703 ± 0.0011 Å
• c: 18.31 ± 0.004 Å
• α: 90°
• β: 99.58 ± 0.03°
• γ: 90°
• Cell volume: 4713.3 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1642
• Residual factor for significantly intense reflections: 0.1241
• Weighted residual factors for significantly intense reflections: 0.3823
• Weighted residual factors for all reflections included in the refinement: 0.4207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No