Information card for entry 7247608

Structure parameters

• Formula: C54 H40 Br2 O2 P2
• Calculated formula: C54 H40 Br2 O2 P2
• Title of publication: Distinct reactivities of ortho-chalcone-substituted organophosphines with activated alkynes: skeletal editing or periphery modification
• Authors of publication: Li, Chaoyang; Niu, Xinyue; Xu, Wan; Bu, Zhanwei; Zhang, Wenjing; Wang, Qilin
• Journal of publication: Green Chemistry
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 24
• Pages of publication: 10587 - 10595
• a: 14.38 ± 0.0005 Å
• b: 15.4793 ± 0.0007 Å
• c: 17.346 ± 0.0006 Å
• α: 101.507 ± 0.003°
• β: 108.532 ± 0.003°
• γ: 108.298 ± 0.004°
• Cell volume: 3278.1 ± 0.3 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 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: 0.0753
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No