Information card for entry 4028485

Structure parameters

• Formula: C23 H24 I N O3
• Calculated formula: C23 H24 I N O3
• SMILES: IC1=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: 12.0501 ± 0.0002 Å
• b: 9.3407 ± 0.0002 Å
• c: 19.3246 ± 0.0005 Å
• α: 90°
• β: 98.772 ± 0.002°
• γ: 90°
• Cell volume: 2149.66 ± 0.08 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.0473
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No