Information card for entry 4120802

Structure parameters

• Formula: C23 H24 N2 O2 Si
• Calculated formula: C23 H24 N2 O2 Si
• SMILES: N1(n2cccc2)\C(c2ccccc2C1=O)=C(/c1ccc(OC)cc1)[Si](C)(C)C
• Title of publication: Nickel-Catalyzed Decarbonylative Alkylidenation of Phthalimides with Trimethylsilyl-Substituted Alkynes
• Authors of publication: Takahiro Shiba; Takuya Kurahashi; Seijiro Matsubara
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 13636 - 13639
• a: 12.6718 ± 0.0014 Å
• b: 15.7328 ± 0.0017 Å
• c: 12.0343 ± 0.0013 Å
• α: 90°
• β: 115.583 ± 0.002°
• γ: 90°
• Cell volume: 2164 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No