Crystallography Open Database

Information card for entry 2204359

2204358 << 2204359 >> 2204360

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Structure parameters

Formula	C21 H13 Cl4 N O2
Calculated formula	C21 H13 Cl4 N O2
SMILES	Clc1c(O)c(Cl)c(Cl)c(OC(=N\c2ccccc2)\C=C\c2ccccc2)c1Cl
Title of publication	<i>N</i>-[3-Phenyl-1-(2,3,5,6-tetrachloro-4-hydroxyphenoxy)prop-2-enylidene]aniline
Authors of publication	Xiu-Rong Hu; Jian-Ming Gu
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	10
Pages of publication	o1773 - o1774
a	11.7423 ± 0.0004 Å
b	12.4902 ± 0.0006 Å
c	13.8929 ± 0.0004 Å
α	95.577 ± 0.003°
β	91.221 ± 0.0008°
γ	90.524 ± 0.002°
Cell volume	2027.35 ± 0.13 Å³
Cell temperature	295 ± 1 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	0.0497
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.1049
Weighted residual factors for all reflections included in the refinement	0.1168
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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