Information card for entry 1542499

Structure parameters

• Formula: C21 H27 Br N O Si
• Calculated formula: C21 H27 Br N O Si
• SMILES: Brc1cc2ccn(C)c(=O)c2c(c1)C#C[Si](C(C)C)(C(=C)C)C(C)C
• Title of publication: Gold vs Rhodium Catalysis: Tuning Reactivity through Catalyst Control in the C-H Alkynylation of Isoquinolones.
• Authors of publication: Shaikh, Aslam C.; Shinde, Dinesh R.; Patil, Nitin T.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 5
• Pages of publication: 1056
• a: 8.162 ± 0.005 Å
• b: 11.461 ± 0.009 Å
• c: 12.471 ± 0.01 Å
• α: 82.763 ± 0.01°
• β: 71.881 ± 0.014°
• γ: 79.447 ± 0.019°
• Cell volume: 1087 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No