Information card for entry 4123592

Structure parameters

• Formula: C27 H39 N O4 Si
• Calculated formula: C27 H39 N O4 Si
• SMILES: [Si](C1=C[C@@H]([C@H]2C[C@H]([C@H]3[C@H]([C@]2(C1)C)CC[C@H](C3)C)OC(=O)c1ccc(N(=O)=O)cc1)C)(C)(C)C
• Title of publication: Synthesis of Highly Functionalized Decalins via Metallacycle-Mediated Cross-Coupling.
• Authors of publication: Mizoguchi, Haruki; Micalizio, Glenn C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 20
• Pages of publication: 6624 - 6628
• a: 13.4286 ± 0.0009 Å
• b: 9.6835 ± 0.0006 Å
• c: 21.6664 ± 0.0014 Å
• α: 90°
• β: 105.375 ± 0.001°
• γ: 90°
• Cell volume: 2716.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0504
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No