Information card for entry 7133614

Structure parameters

• Formula: C33 H26 Cl N3 O2
• Calculated formula: C33 H26 Cl N3 O2
• Title of publication: Pd-catalyzed sequential intramolecular annulation/intermolecular [3+2] cycloaddition of 5-allenyloxazolidine-2,4-diones with dipoles: synthesis of spiroheterocycles.
• Authors of publication: Dong, Yujie; Liu, Jun; Ning, Rongjin; Yang, Fazhou; Zhang, Cheng; Guo, Hongchao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 76
• Pages of publication: 10516 - 10519
• a: 11.1281 ± 0.0002 Å
• b: 17.8377 ± 0.0002 Å
• c: 13.675 ± 0.0002 Å
• α: 90°
• β: 102.387 ± 0.001°
• γ: 90°
• Cell volume: 2651.29 ± 0.07 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0494
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No