Information card for entry 1508693

Structure parameters

• Formula: C19 H24 N2 O6
• Calculated formula: C19 H24 N2 O6
• SMILES: O=C(N1C(=O)OC[C@@H]1C(C)C)/C(=C/[C@H](C)[C@@H](O)c1ccc(N(=O)=O)cc1)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: 24.942 ± 0.0005 Å
• b: 6.13836 ± 0.00011 Å
• c: 12.4356 ± 0.0003 Å
• α: 90°
• β: 97.4055 ± 0.0009°
• γ: 90°
• Cell volume: 1888.05 ± 0.07 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• 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: 0.0397
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No