Information card for entry 7153522

Structure parameters

• Formula: C15 H21 N O4
• Calculated formula: C15 H21 N O4
• SMILES: O1[C@@H](C)CCC[C@H]1O[C@@H]([C@H](N(=O)=O)C)c1ccccc1
• Title of publication: Highly stereoselective oxy-Michael additions to ?,?-disubstituted nitro olefins: asymmetric synthesis of pseudo-norephedrine derivatives and THP* protected ?-hydroxy ketones
• Authors of publication: Buchanan, David J.; Dixon, Darren J.; Hernandez-Juan, Felix A.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 20
• Pages of publication: 2932 - 2934
• a: 19.5297 ± 0.0006 Å
• b: 5.7494 ± 0.0002 Å
• c: 13.7124 ± 0.0006 Å
• α: 90°
• β: 105.224 ± 0.002°
• γ: 90°
• Cell volume: 1485.65 ± 0.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 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 all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No