Information card for entry 1508694

Structure parameters

• Formula: C23 H29 N3 O9
• Calculated formula: C23 H29 N3 O9
• SMILES: O(C(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1)[C@@H](C(C)C)[C@H](/C=C(/C(=O)N1[C@@H](C(C)C)COC1=O)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: 10.2747 ± 0.0005 Å
• b: 12.2094 ± 0.0006 Å
• c: 10.319 ± 0.0005 Å
• α: 90°
• β: 111.243 ± 0.003°
• γ: 90°
• Cell volume: 1206.54 ± 0.1 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No