Information card for entry 4119232

Structure parameters

• Common name: QY0716
• Chemical name: QY0716
• Formula: C27 H33 Br N2 O4 Si
• Calculated formula: C27 H33 Br N2 O4 Si
• SMILES: C\1(=C(O[Si](C)(C)C(C)(C)C)\C(=O)OC)C[C@@H](N2[C@@H](CC(=O)N12)c1ccccc1)c1ccc(cc1)Br.C1(=C(\O[Si](C)(C)C(C)(C)C)C(=O)OC)\C[C@H](N2[C@H](CC(=O)N12)c1ccccc1)c1ccc(cc1)Br
• Title of publication: Highly Selective Catalyst-Dependent Competitive 1,2-C→C, -O→C, and -N→C Migrations from β-Methylene-β-silyloxy-β-amido-α-diazoacetates
• Authors of publication: Xichen Xu; Yu Qian; Peter Y. Zavalij; Michael P. Doyle
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 1244 - 1247
• a: 12.0963 ± 0.0012 Å
• b: 12.6843 ± 0.0013 Å
• c: 18.312 ± 0.0018 Å
• α: 90.5361 ± 0.0016°
• β: 94.8492 ± 0.0017°
• γ: 102.61 ± 0.0016°
• Cell volume: 2731 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0543
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes