Information card for entry 1568688

Structure parameters

• Formula: C30 H29 N O2 Si
• Calculated formula: C30 H29 N O2 Si
• SMILES: [Si@]1(OC(=Nc2c1c(c1ccccc1)ccc2)c1ccc(OC)cc1)(c1ccccc1)C(C)(C)C
• 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: 9.521 ± 0.003 Å
• b: 12.367 ± 0.003 Å
• c: 11.509 ± 0.003 Å
• α: 90°
• β: 112.719 ± 0.006°
• γ: 90°
• Cell volume: 1250 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No