Information card for entry 7158071

Structure parameters

• Formula: C33 H31 N O
• Calculated formula: C33 H30.905 N O
• Title of publication: Rh(III)-Catalyzed olefination to build diverse oxazole derivatives from functional alkynes.
• Authors of publication: He, Yuan; Zheng, Ting; Huang, Yin-Hui; Dong, Lin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 22
• Pages of publication: 4937 - 4942
• a: 9.8028 ± 0.0004 Å
• b: 11.5069 ± 0.0005 Å
• c: 12.8022 ± 0.0006 Å
• α: 65.998 ± 0.003°
• β: 84.345 ± 0.003°
• γ: 84.332 ± 0.003°
• Cell volume: 1310.06 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1616
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No