Information card for entry 1567608

Structure parameters

• Formula: C23 H29 N
• Calculated formula: C23 H29 N
• SMILES: N1(Cc2ccccc2)[C@@H](CCC1)/C=C/c1ccc(cc1)C(C)(C)C
• Title of publication: Palladium/GF-Phos-catalyzed asymmetric carbenylative amination to access chiral pyrrolidines and piperidines
• Authors of publication: Sun, Yue; Ma, Chun; Li, Zhiming; Zhang, Junliang
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 37
• Pages of publication: 11150 - 11155
• a: 10.9102 ± 0.0003 Å
• b: 6.1038 ± 0.0002 Å
• c: 14.7452 ± 0.0004 Å
• α: 90°
• β: 99.5 ± 0.003°
• γ: 90°
• Cell volume: 968.47 ± 0.05 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No