Information card for entry 7158171

Structure parameters

• Formula: C39 H32 O3 P2
• Calculated formula: C39 H32 O3 P2
• Title of publication: A metal-free radical cascade reaction of phosphine oxides with 2-aryloxy phenylacetylenes to synthesize diphosphonyl xanthene derivatives.
• Authors of publication: Fan, Tao; Liu, Yan; Jiang, Caina; Xu, Yanli; Chen, Yanyan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 30
• Pages of publication: 6609 - 6612
• a: 10.8036 ± 0.0009 Å
• b: 11.4967 ± 0.0009 Å
• c: 15.6103 ± 0.0014 Å
• α: 95.672 ± 0.007°
• β: 91.026 ± 0.007°
• γ: 113.558 ± 0.008°
• Cell volume: 1765.1 ± 0.3 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.1988
• Weighted residual factors for all reflections included in the refinement: 0.22
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No