Information card for entry 1576728

Structure parameters

• Formula: C34 H22 Cl N O
• Calculated formula: C34 H22 Cl N O
• Title of publication: Unlocking radical reactivity of cyclic diaryl λ³-chloranes through NHC-catalyzed three-component coupling.
• Authors of publication: Kunhiraman, Anusree A.; Patra, Koushik; Kumar Choutipalli, Venkata Surya; Godara, Manjeet; Shuford, Kevin L.; Baidya, Mahiuddin
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 8
• Pages of publication: 4277 - 4284
• a: 9.314 ± 0.002 Å
• b: 24.125 ± 0.006 Å
• c: 11.578 ± 0.003 Å
• α: 90°
• β: 92.692 ± 0.006°
• γ: 90°
• Cell volume: 2598.7 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1665
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.1537
• Weighted residual factors for all reflections included in the refinement: 0.1824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No