Information card for entry 7133613

Structure parameters

• Formula: C27 H23.5 Cl N2 O3.25
• Calculated formula: C27 H23.5 Cl N2 O3.25
• 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: 9.2073 ± 0.0003 Å
• b: 14.43 ± 0.0005 Å
• c: 18.0454 ± 0.0005 Å
• α: 76.612 ± 0.002°
• β: 83.712 ± 0.002°
• γ: 82.66 ± 0.002°
• Cell volume: 2305.31 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.2103
• Weighted residual factors for all reflections included in the refinement: 0.221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No