Information card for entry 4121455

Structure parameters

• Formula: C22 H23 N O3
• Calculated formula: C22 H23 N O3
• SMILES: O1c2ccccc2[C@H](C1)C[C@@H](C)CCCN1C(=O)c2ccccc2C1=O
• Title of publication: Catalytic enantioselective cyclization/cross-coupling with alkyl electrophiles.
• Authors of publication: Cong, Huan; Fu, Gregory C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 10
• Pages of publication: 3788 - 3791
• a: 4.9531 ± 0.0001 Å
• b: 12.3326 ± 0.0003 Å
• c: 29.4659 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1799.91 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 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: 0.0249
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No