Information card for entry 7135655

Structure parameters

• Formula: C22 H16 Br Cl O3
• Calculated formula: C22 H16 Br Cl O3
• Title of publication: Concise synthesis of triasteranones from barbaralones.
• Authors of publication: Yeung, Serena; Allen, Emily G.; Jones, Kieran D.; Argent, Stephen P.; Lam, Hon Wai
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• a: 6.6789 ± 0.0002 Å
• b: 11.1715 ± 0.0005 Å
• c: 12.6773 ± 0.0005 Å
• α: 84.693 ± 0.003°
• β: 75.054 ± 0.003°
• γ: 79.844 ± 0.003°
• Cell volume: 898.48 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0201
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.0461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No