Information card for entry 1568690

Structure parameters

• Formula: C26 H28 F3 N O4 S Si
• Calculated formula: C26 H28 F3 N O4 S Si
• Title of publication: Palladium-catalyzed synthesis of 4-sila-4<i>H</i>-benzo[<i>d</i>][1,3]oxazines by intramolecular Hiyama coupling.
• Authors of publication: Lee, Donghyeon; Shintani, Ryo
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 15
• Pages of publication: 4114 - 4119
• a: 9.145 ± 0.002 Å
• b: 19.109 ± 0.005 Å
• c: 15.052 ± 0.004 Å
• α: 90°
• β: 98.006 ± 0.006°
• γ: 90°
• Cell volume: 2604.7 ± 1.1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No