Information card for entry 1508692

Structure parameters

• Formula: C19 H24 Br N O4
• Calculated formula: C19 H24 Br N O4
• SMILES: Brc1ccc(cc1)[C@H](O)[C@H](/C=C(/C(=O)N1C(=O)OC[C@@H]1C(C)C)C)C
• Title of publication: Syn-selective Kobayashi aldol reaction using the E,E-vinylketene silyl N,O-acetal.
• Authors of publication: Mukaeda, Yuki; Kato, Takuya; Hosokawa, Seijiro
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 5298 - 5301
• a: 25.422 ± 0.005 Å
• b: 6.1383 ± 0.0013 Å
• c: 12.182 ± 0.003 Å
• α: 90°
• β: 98.781 ± 0.005°
• γ: 90°
• Cell volume: 1878.7 ± 0.7 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No