Information card for entry 1546207

Structure parameters

• Formula: C30 H33 Cl3 N2 O2 Si
• Calculated formula: C30 H33 Cl3 N2 O2 Si
• SMILES: [Si](C(=C(CC1C(=O)N(c2c1cccc2)C)\c1ccccc1)\C(=O)NCc1ccccc1)(C)(C)C.ClC(Cl)Cl
• 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: 11.2706 ± 0.0003 Å
• b: 28.0835 ± 0.0008 Å
• c: 10.5737 ± 0.0003 Å
• α: 90°
• β: 116.053 ± 0.001°
• γ: 90°
• Cell volume: 3006.69 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0444
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No