Information card for entry 1544138

Structure parameters

• Common name: Marek99 (Zack)
• Chemical name: Benzyl (S)-4-((S)-4-benzyl-2-oxooxazolidine-3-carbonyl)-4-methyl-2-methyleneoctanoate
• Formula: C28 H33 N O5
• Calculated formula: C28 H33 N O5
• SMILES: O(Cc1ccccc1)C(=O)C(=C)C[C@](C)(CCCC)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
• Title of publication: Enantioselective allylic alkylation of stereodefined polysubstituted copper enolates as an entry to acyclic quaternary carbon stereocentres.
• Authors of publication: Nairoukh, Zackaria; Kumar, Gunda G K S Narayana; Minko, Yury; Marek, Ilan
• Journal of publication: Chemical science
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 627 - 630
• a: 6.003 ± 0.006 Å
• b: 14.84 ± 0.03 Å
• c: 28.93 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2577 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0611
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No