Information card for entry 1546937

Structure parameters

• Formula: C24 H27 N3 O2 Si
• Calculated formula: C24 H27 N3 O2 Si
• SMILES: [Si](C(=N#N)C1=NC(=O)OC21CCCC2)(c1ccccc1)(c1ccccc1)C(C)(C)C
• Title of publication: Synthesis of azasilacyclopentenes and silanols via Huisgen cycloaddition-initiated C‒H bond insertion cascades
• Authors of publication: Shih, Jiun-Le; Jansone-Popova, Santa; Huynh, Christopher; May, Jeremy A.
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 13.0101 ± 0.0006 Å
• b: 10.7484 ± 0.0005 Å
• c: 16.4288 ± 0.0007 Å
• α: 90°
• β: 106.67 ± 0.001°
• γ: 90°
• Cell volume: 2200.81 ± 0.17 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No