Information card for entry 2204685

Structure parameters

• Chemical name: Diphenyl 2-(α,α,4-trichlorobenzyl)phenyl phosphate
• Formula: C25 H18 Cl3 O4 P
• Calculated formula: C25 H18 Cl3 O4 P
• SMILES: P(=O)(Oc1c(C(Cl)(Cl)c2ccccc2)cc(Cl)cc1)(Oc1ccccc1)Oc1ccccc1
• Title of publication: Diphenyl 2-(α,α,4-trichlorobenzyl)phenyl phosphate
• Authors of publication: Pinkus, A. G.; Klausmeyer, Kevin K.; Feazell, Rodney P.; Meng, Lily Y. C.; Chang, Tsung C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2230 - o2231
• a: 9.452 ± 0.004 Å
• b: 9.629 ± 0.005 Å
• c: 15.136 ± 0.005 Å
• α: 74.051 ± 0.018°
• β: 79.192 ± 0.012°
• γ: 60.608 ± 0.01°
• Cell volume: 1151.8 ± 0.9 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: 0.035
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes