Information card for entry 7134544

Structure parameters

• Formula: C33 H29 Cl N2 O4 S
• Calculated formula: C33 H29 Cl N2 O4 S
• Title of publication: Gold-catalyzed bicyclic annulations between 4-hydroxy-1,5-diynamides and nitrones for the synthesis of cyclopentene-fused isoxazole carboxamides
• Authors of publication: Maitra, Chandrima; Chuang, Ting-Yi; Yang, Tzuhsiung; Liu, Rai-Shung
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 49
• Pages of publication: 8931 - 8934
• a: 13.713 ± 0.0001 Å
• b: 14.0218 ± 0.0001 Å
• c: 18.249 ± 0.0002 Å
• α: 110.301 ± 0.001°
• β: 109.587 ± 0.001°
• γ: 94.916 ± 0.001°
• Cell volume: 3018.42 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No