Information card for entry 2204023

Structure parameters

• Chemical name: 2-[Dichloro(phenoxy)methyl]phenyl dichlorophosphonate
• Formula: C13 H9 Cl4 O3 P
• Calculated formula: C13 H9 Cl4 O3 P
• SMILES: ClP(=O)(Cl)Oc1c(C(Cl)(Cl)Oc2ccccc2)cccc1
• Title of publication: 2-[Dichloro(phenoxy)methyl]phenyl dichlorophosphonate
• Authors of publication: Pinkus, A. G.; Klausmeyer, Kevin K.; Feazell, Rodney P.; Wang, Ching T.; Moseley, Charles G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: o1312 - o1313
• a: 13.9369 ± 0.0014 Å
• b: 19.0631 ± 0.0017 Å
• c: 23.503 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6244.3 ± 1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes