Information card for entry 1547674

Structure parameters

• Formula: C26 H16 Cl O2 P
• Calculated formula: C26 H16 Cl O2 P
• SMILES: c12ccccc1C1=C(c3c(cccc3)P31(c1ccccc1Oc1c3cccc1)O2)Cl
• 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: 8.2205 ± 0.0003 Å
• b: 11.1612 ± 0.0007 Å
• c: 11.4544 ± 0.0006 Å
• α: 106.106 ± 0.005°
• β: 97.928 ± 0.004°
• γ: 93.594 ± 0.004°
• Cell volume: 994.4 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No