Crystallography Open Database

Information card for entry 2233843

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Structure parameters

Chemical name	2,4,5-Trichloroanilinium perchlorate 1,4,7,10,13,16-hexaoxacyclooctadecane
Formula	C18 H29 Cl4 N O10
Calculated formula	C18 H29 Cl4 N O10
Title of publication	2,4,5-Trichloroanilinium perchlorate 18-crown-6 clathrate
Authors of publication	Xu, Jie
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	3
Pages of publication	o739
a	9.4961 ± 0.0019 Å
b	11.783 ± 0.002 Å
c	11.852 ± 0.002 Å
α	97.86 ± 0.03°
β	90.39 ± 0.03°
γ	105.26 ± 0.03°
Cell volume	1266.1 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0737
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1411
Weighted residual factors for all reflections included in the refinement	0.1518
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301806 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure.	2233843.cif
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2233843.cif
120072	2014-07-11	Adding DOIs to range 2 structures.	2233843.cif
51095	2012-04-03	../uploads/cif-deposit/cod/cif Adding structures of 2233843 via cif-deposit CGI script.	2233843.cif