Information card for entry 7156391

Structure parameters

• Formula: C26 H29 O3 P
• Calculated formula: C26 H29 O3 P
• Title of publication: Organobase catalyzed straightforward synthesis of phosphinyl functionalized 2H-pyran cores from allenylphosphine oxides and 1,3-diones.
• Authors of publication: Chen, Yao-Zhong; Zhu, Jie; Wu, Jin-Jin; Wu, Lei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 36
• Pages of publication: 6675 - 6679
• a: 9.6804 ± 0.0014 Å
• b: 24.788 ± 0.004 Å
• c: 10.418 ± 0.0016 Å
• α: 90°
• β: 109.906 ± 0.004°
• γ: 90°
• Cell volume: 2350.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0789
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No