Information card for entry 1547677

Structure parameters

• Formula: C26 H18 Cl O P
• Calculated formula: C26 H18 Cl O P
• SMILES: ClC1=C2P(Oc3c2cccc3)(c2c1cccc2)(c1ccccc1)c1ccccc1
• Title of publication: Planar Polycyclic Oxaphosphoranes Incorporating a Benzophosphole Unit.
• Authors of publication: Zhao, Xu; Gan, Zhenjie; Hu, Chaopeng; Duan, Zheng; Mathey, François
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 21
• Pages of publication: 5814 - 5817
• a: 9.4124 ± 0.0003 Å
• b: 14.7338 ± 0.0005 Å
• c: 14.2292 ± 0.0005 Å
• α: 90°
• β: 90.71 ± 0.001°
• γ: 90°
• Cell volume: 1973.16 ± 0.12 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 169.72 K
• Number of distinct elements: 5
• 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: 0.0293
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No