Information card for entry 4130051

Structure parameters

• Formula: C28 H28 Br N Si
• Calculated formula: C28 H28 Br N Si
• SMILES: Brc1ccc(C#C[C@H](N(Cc2ccccc2)Cc2ccccc2)C#C[Si](C)(C)C)cc1
• Title of publication: Catalytic Enantioselective Synthesis of Amino Skipped Diynes.
• Authors of publication: Paioti, Paulo H. S.; Abboud, Khalil A.; Aponick, Aaron
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 7
• Pages of publication: 2150 - 2153
• a: 5.8781 ± 0.0003 Å
• b: 10.3144 ± 0.0006 Å
• c: 21.1393 ± 0.0012 Å
• α: 90°
• β: 94.3996 ± 0.0011°
• γ: 90°
• Cell volume: 1277.88 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0193
• Residual factor for significantly intense reflections: 0.0182
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No