Information card for entry 7133822

Structure parameters

• Formula: C29 H25 O P
• Calculated formula: C29 H25 O P
• Title of publication: Substituent-dependent [4+2] or [2+2] cycloadditions of phenylallenyl phosphine oxides with arynes.
• Authors of publication: Qin, Yunlong; Zhang, Jianing; Zhang, Congcong; Wang, Qilin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 80
• Pages of publication: 11343 - 11346
• a: 11.1653 ± 0.0001 Å
• b: 15.513 ± 0.0002 Å
• c: 13.4254 ± 0.0002 Å
• α: 90°
• β: 109.732 ± 0.001°
• γ: 90°
• Cell volume: 2188.84 ± 0.05 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No