Information card for entry 7135657

Structure parameters

• Formula: C16 H16 Cl2 O3
• Calculated formula: C16 H16 Cl2 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: 6.1522 ± 0.0001 Å
• b: 19.1069 ± 0.0003 Å
• c: 12.9283 ± 0.0002 Å
• α: 90°
• β: 96.107 ± 0.001°
• γ: 90°
• Cell volume: 1511.09 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0391
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No