Information card for entry 1508947

Structure parameters

• Formula: C19 H16 Cl N O3
• Calculated formula: C19 H16 Cl N O3
• SMILES: c1(ccc(cc1)C(CC(=O)c1ccccc1)N1C(=O)CCC1=O)Cl
• Title of publication: N-Bromosuccinimide/1,8-Diazabicyclo[5.4.1]undec-7-ene Combination: β-Amination of Chalcones via a Tandem Bromoamination/Debromination Sequence.
• Authors of publication: Wei, Ying; Lin, Shaoxia; Liang, Fushun; Zhang, Jingping
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 852 - 855
• a: 10.25 ± 0.0006 Å
• b: 10.486 ± 0.0006 Å
• c: 16.7877 ± 0.0011 Å
• α: 90°
• β: 114.815 ± 0.004°
• γ: 90°
• Cell volume: 1637.77 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No