Information card for entry 2204240

Structure parameters

• Formula: C13 H8 Cl5 O2 P
• Calculated formula: C13 H8 Cl5 O2 P
• SMILES: P(=O)(Cl)(Cl)Oc1c(C(Cl)(Cl)c2ccccc2)cc(Cl)cc1
• Title of publication: α,α,4-Trichloro-α-phenyl-<i>o</i>-tolyl dichlorophosphinate
• Authors of publication: Pinkus, A. G.; Klausmeyer, Kevin K.; Feazell, Rodney P.; Meng, Liliy Y. C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: o1486 - o1487
• a: 9.5227 ± 0.0007 Å
• b: 10.2195 ± 0.0007 Å
• c: 17.5587 ± 0.0012 Å
• α: 73.238 ± 0.004°
• β: 75.348 ± 0.004°
• γ: 87.593 ± 0.004°
• Cell volume: 1582.1 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.031
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes