Information card for entry 7160483

Structure parameters

• Formula: C18 H14 Br Cl N2 O3
• Calculated formula: C18 H14 Br Cl N2 O3
• Title of publication: Enantioselective construction of functionalized oxazoles <i>via</i> anionic stereogenic-at-cobalt(III) complex-catalyzed Ugi-4CR/Wittig reaction sequences.
• Authors of publication: Wang, Qi-Ming; Peng, Chang-Min; Sun, Yong-En; Yao, Chuan-Zhi; Jiang, Hua-Jie; Yu, Jie
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 17
• Pages of publication: 4074 - 4078
• a: 11.1043 ± 0.0003 Å
• b: 13.4026 ± 0.0004 Å
• c: 12.0631 ± 0.0004 Å
• α: 90°
• β: 90.368 ± 0.002°
• γ: 90°
• Cell volume: 1795.27 ± 0.09 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No