Crystallography Open Database

Information card for entry 2006602

2006601 << 2006602 >> 2006603

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Original IUCr paper	HTML

Structure parameters

Chemical name	Tris(3-chlorophenyl)phosphine oxide.
Formula	C18 H12 Cl3 O P
Calculated formula	C18 H12 Cl3 O P
SMILES	P(=O)(c1cc(Cl)ccc1)(c1cc(Cl)ccc1)c1cc(Cl)ccc1
Title of publication	Tris(3-chlorophenyl)phosphine Oxide
Authors of publication	Shawkataly, Omar bin; Ramalingam, Kuppukkannu; Selvakumar, Suppramanian; Fun, Hoong-Kun; Ibrahim, Abdul Razak
Journal of publication	Acta Crystallographica Section C
Year of publication	1997
Journal volume	53
Journal issue	10
Pages of publication	1451 - 1452
a	6.193 ± 0.001 Å
b	9.077 ± 0.001 Å
c	15.882 ± 0.0002 Å
α	90.69 ± 0.01°
β	96.39 ± 0.01°
γ	101.75 ± 0.01°
Cell volume	868.1 ± 0.17 Å³
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	0.0958
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for all reflections	0.1746
Weighted residual factors for significantly intense reflections	0.159
Goodness-of-fit parameter for all reflections	0.908
Goodness-of-fit parameter for significantly intense reflections	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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