Information card for entry 7133823

Structure parameters

• Formula: C26 H25 O P
• Calculated formula: C26 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: 16.0883 ± 0.0006 Å
• b: 6.3238 ± 0.0002 Å
• c: 21.618 ± 0.0008 Å
• α: 90°
• β: 109.454 ± 0.004°
• γ: 90°
• Cell volume: 2073.83 ± 0.14 ų
• Cell temperature: 153.15 K
• Ambient diffraction temperature: 153.15 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: 0.0726
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1649
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No