Information card for entry 1555994

Structure parameters

• Formula: C19 H27 Br N O2 Si
• Calculated formula: C19 H27 Br N O2 Si
• SMILES: Brc1ccc([C@](NC(=O)OC(C)(C)C)(C)C(=C=C)[Si](C)(C)C)cc1
• Title of publication: Asymmetric Propargylboration of Aldimines and Ketimines with the Borabicyclo[3.3.2]decanes: Novel Entries to Allenyl Carbinamines, Amino Acids, and Their α-Methyl Counterparts.
• Authors of publication: Alicea-Matías, Eyleen; Soderquist, John A.
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 2
• Pages of publication: 336 - 339
• a: 10.5667 ± 0.0019 Å
• b: 11.1762 ± 0.0016 Å
• c: 18.221 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2151.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0733
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No