Information card for entry 7247607

Structure parameters

• Formula: C33 H26 Cl O5 P
• Calculated formula: C33 H26 Cl O5 P
• SMILES: Clc1ccc(C(=O)CC2=C(C(=P(c3ccccc3)(c3ccccc3)c3ccccc23)C(=O)OC)C(=O)OC)cc1
• 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: 14.9304 ± 0.0002 Å
• b: 9.0992 ± 0.0001 Å
• c: 21.2031 ± 0.0003 Å
• α: 90°
• β: 106.572 ± 0.002°
• γ: 90°
• Cell volume: 2760.89 ± 0.07 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• 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: 0.0399
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No