Information card for entry 4130305

Structure parameters

• Formula: C19 H21 N O3
• Calculated formula: C19 H21 N O3
• SMILES: O=C1N(CC[C@]1([C@@H](O)c1ccccc1)C)c1ccccc1OC
• Title of publication: Ni-Catalyzed Enantioselective C-Acylation of α-Substituted Lactams.
• Authors of publication: Hayashi, Masaki; Bachman, Shoshana; Hashimoto, Satoshi; Eichman, Chad C.; Stoltz, Brian M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 29
• Pages of publication: 8997 - 9000
• a: 6.7858 ± 0.0009 Å
• b: 7.7709 ± 0.001 Å
• c: 8.1797 ± 0.001 Å
• α: 112.386 ± 0.006°
• β: 91.911 ± 0.006°
• γ: 96.499 ± 0.009°
• Cell volume: 394.89 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No