Information card for entry 4028484

Structure parameters

• Formula: C23 H24 Br N O3
• Calculated formula: C23 H24 Br N O3
• SMILES: BrC1=C(N([C@H](CC1=O)Cc1ccccc1)C(=O)OC(C)(C)C)c1ccccc1
• Title of publication: Gold-Mediated Synthesis and Functionalization of Chiral Halopyridones
• Authors of publication: Khanh Hung Nguyen; Sophie Tomasi; Myriam Le Roch; Loïc Toupet; Jacques Renault; Philippe Uriac; Nicolas Gouault
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 7809 - 7815
• a: 9.667 ± 0.0002 Å
• b: 11.1719 ± 0.0002 Å
• c: 19.3587 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2090.72 ± 0.07 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• 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: 0.0382
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.0473
• Goodness-of-fit parameter for all reflections included in the refinement: 0.826
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No