Information card for entry 1568689

Structure parameters

• Formula: C21 H26 F N O2 Si
• Calculated formula: C21 H26 F N O2 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: 9.572 ± 0.003 Å
• b: 12.507 ± 0.005 Å
• c: 17.419 ± 0.006 Å
• α: 108.613 ± 0.001°
• β: 90.26 ± 0.007°
• γ: 92.416 ± 0.001°
• Cell volume: 1974.2 ± 1.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.1466
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.2023
• Weighted residual factors for all reflections included in the refinement: 0.2222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No