Information card for entry 1555168

Structure parameters

• Formula: C19 H18 N2 O6 Si
• Calculated formula: C19 H18 N2 O6 Si
• SMILES: [Si]1(C(=CC(OC(=O)c2cc(N(=O)=O)cc(N(=O)=O)c2)C1)c1ccccc1)(C)C
• Title of publication: Synthesis of silacyclopent-2-en-4-ols via intramolecular [2 + 2] photocycloaddition of benzoyl(allyl)silanes
• Authors of publication: Vale, João R.; Valkonen, Arto; Afonso, Carlos A. M.; Candeias, Nuno R.
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 22
• Pages of publication: 3793
• a: 10.8289 ± 0.0002 Å
• b: 10.4035 ± 0.0002 Å
• c: 17.1866 ± 0.0003 Å
• α: 90°
• β: 103.19 ± 0.002°
• γ: 90°
• Cell volume: 1885.14 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No