Information card for entry 1545898

Structure parameters

• Formula: C22 H23 N O2 Si
• Calculated formula: C22 H23 N O2 Si
• SMILES: [Si](C1=C(C[C@@]2(C(=O)N(c3c2cccc3)C)C1=O)c1ccccc1)(C)(C)C
• Title of publication: Rearrangement of an Intermediate Cyclopropyl Ketene in a Rh(II)-Catalyzed Formal [4 + 1]-Cycloaddition Employing Vinyl Ketenes as 1,4-Dipoles and Donor-Acceptor Metallocarbenes.
• Authors of publication: Rodriguez, Kevin X.; Kaltwasser, Nicolai; Toni, Tiffany A.; Ashfeld, Brandon L.
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 10
• Pages of publication: 2482 - 2485
• a: 9.3782 ± 0.0012 Å
• b: 11.6315 ± 0.0015 Å
• c: 17.149 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1870.7 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No