Information card for entry 1555345

Structure parameters

• Formula: C15 H19 N O3
• Calculated formula: C15 H19 N O3
• SMILES: N12[C@](OC[C@@H]1[C@H](C)CC2=O)(c1ccc(OC)cc1)C
• Title of publication: Reversal of Diastereoselection in the Conjugate Addition of Cuprates to Unsaturated Lactams.
• Authors of publication: Wright, Stephen W.; Choi, Chulho; Chung, Seungwon; Boscoe, Brian P.; Drozda, Susan E.; Mousseau, James J.; Trzupek, John D.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 21
• Pages of publication: 5204 - 5207
• a: 5.8171 ± 0.0005 Å
• b: 7.1215 ± 0.0007 Å
• c: 16.2736 ± 0.0015 Å
• α: 90°
• β: 94.53 ± 0.005°
• γ: 90°
• Cell volume: 672.05 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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 all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No