Crystallography Open Database

Information card for entry 2204240

2204239 << 2204240 >> 2204241

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2204240.hkl
Original IUCr paper	HTML

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 Å³
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 F_obs	Yes

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