Information card for entry 7160751

Structure parameters

• Formula: C17 H10 Cl N3 O3
• Calculated formula: C17 H10 Cl N3 O3
• Title of publication: Enantioselective palladium-catalyzed carbonylation toward N-N axially chiral amides.
• Authors of publication: Li, Ke-Jiao; Geng, Ying-Ying; Zhang, Fu-Jian; Li, Xin-Yue; Liu, Jing-Wen; Wu, Cheng-Gui; Feng, Cheng-Tao; Teng, Fan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 40
• Pages of publication: 9105 - 9109
• a: 47.8889 ± 0.0007 Å
• b: 12.8413 ± 0.0002 Å
• c: 9.7509 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5996.37 ± 0.14 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No