Information card for entry 1555347

Structure parameters

• Formula: C8 H11 N O2
• Calculated formula: C8 H11 N O2
• SMILES: C1(=O)C=C[C@H]2COC(C)(C)N12
• 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: 6.742 ± 0.0002 Å
• b: 7.2944 ± 0.0002 Å
• c: 15.8577 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 779.86 ± 0.04 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0616
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.339
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No