Information card for entry 7150570

Structure parameters

• Formula: C29 H39 N O4
• Calculated formula: C29 H39 N O4
• SMILES: [C@@H]([C@H]1[C@H](OC(O1)(C)C)C=C)(N([C@@H](c1ccccc1)C)Cc1ccccc1)CC(=O)OC(C)(C)C
• Title of publication: Doubly diastereoselective conjugate addition of homochiral lithium amides to homochiral α,β-unsaturated esters containing cis- and trans-dioxolane units
• Authors of publication: Davies, Stephen G.; Durbin, Matthew J.; Goddard, Euan C.; Kelly, Peter M.; Kurosawa, Wataru; Lee, James A.; Nicholson, Rebecca L.; Price, Paul D.; Roberts, Paul M.; Russell, Angela J.; Scott, Philip M.; Smith, Andrew D.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 4
• Pages of publication: 761 - 776
• a: 11.5712 ± 0.0002 Å
• b: 13.9737 ± 0.0002 Å
• c: 17.038 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2754.92 ± 0.07 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 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: 0.0408
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for all reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections included in the refinement: 0.0396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No