Information card for entry 1576729

Structure parameters

• Formula: C28 H20 Br Cl O
• Calculated formula: C28 H20 Br Cl 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: 9.8017 ± 0.001 Å
• b: 10.1659 ± 0.0009 Å
• c: 11.4676 ± 0.0012 Å
• α: 81.365 ± 0.003°
• β: 84.82 ± 0.004°
• γ: 86.723 ± 0.003°
• Cell volume: 1124 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0654
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No