Information card for entry 7247606

Structure parameters

• Formula: C30 H23 Cl N O2 P
• Calculated formula: C30 H23 Cl N O2 P
• 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: 9.7322 ± 0.0016 Å
• b: 10.0029 ± 0.0016 Å
• c: 12.561 ± 0.002 Å
• α: 89.918 ± 0.004°
• β: 88.573 ± 0.004°
• γ: 81.09 ± 0.004°
• Cell volume: 1207.7 ± 0.3 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.132
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No