Information card for entry 4038399

Structure parameters

• Formula: C44 H40 O5 P2
• Calculated formula: C44 H40 O5 P2
• Title of publication: Concise Synthesis of Phospholene and Its P-Stereogenic Derivatives.
• Authors of publication: Hu, Wei; Li, Er-Qing; Duan, Zheng; Mathey, François
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 20.6268 ± 0.0012 Å
• b: 8.2898 ± 0.0009 Å
• c: 11.4377 ± 0.0006 Å
• α: 90°
• β: 101.734 ± 0.005°
• γ: 90°
• Cell volume: 1914.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No