Crystallography Open Database

Information card for entry 4115649

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Structure parameters

Formula	C48 H36 Cl4 O10 S2 W
Calculated formula	C48 H36 Cl4 O10 S2 W
SMILES	[W]1234(Oc5c(O1)c(ccc5c1scc5OCCOc15)c1scc5OCCOc15)Oc1c5cccc1Cc1cccc(c1O2)Cc1c(O3)c(ccc1)Cc1c(O4)c(ccc1)C5.ClCCl.ClCCl
Title of publication	Conducting Polymers Incorporating Tungsten-Capped Calixarenes
Authors of publication	Arkadi Vigalok; Zhengguo Zhu; Timothy M. Swager
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	7917 - 7918
a	12.279 ± 0.003 Å
b	12.373 ± 0.004 Å
c	15.036 ± 0.004 Å
α	77.306 ± 0.005°
β	85.491 ± 0.005°
γ	78.231 ± 0.005°
Cell volume	2180.3 ± 1.1 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0621
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1172
Weighted residual factors for all reflections included in the refinement	0.1231
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301833 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure.	4115649.cif
178927	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/56.	4115649.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115649.cif
69321	2012-12-10	cif/ Adding structures of 4115649 via cif-deposit CGI script.	4115649.cif