Information card for entry 4124838

Structure parameters

• Formula: C21 H26 N2 O6
• Calculated formula: C21 H26 N2 O6
• SMILES: O=C(OC(C)(C)C)NC1=C[C@@]2(ON(C(=O)c3ccccc3)[C@@H](C32OCCO3)C1)C
• Title of publication: Boronic Acid-Catalyzed, Highly Enantioselective Aza-Michael Additions of Hydroxamic Acid to Quinone Imine Ketals.
• Authors of publication: Hashimoto, Takuya; Gálvez, Alberto Osuna; Maruoka, Keiji
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 51
• Pages of publication: 16016 - 16019
• a: 6.3279 ± 0.00013 Å
• b: 10.2173 ± 0.0002 Å
• c: 31.5941 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2042.69 ± 0.07 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No