Crystallography Open Database

Information card for entry 7203965

7203964 << 7203965 >> 7203966

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Structure parameters

Formula	C42 H34 Cl2 O8
Calculated formula	C42 H34 Cl2 O8
SMILES	O1c2ccc(cc2)C(=O)c2ccc(cc2)Oc2ccc(cc2)C(=O)c2ccc(cc2)Oc2ccc(cc2)C(=O)c2ccc1cc2.CO.CO.C(Cl)Cl
Title of publication	Cyclic oligomers of poly(ether ketone) (PEK): synthesis, extraction from polymer, fractionation, and characterisation of the cyclic trimer, tetramer and pentamer
Authors of publication	Ben-Haida, Abderrazak; Colquhoun, Howard M.; Hodge, Philip; Williams, David J.
Journal of publication	Journal of Materials Chemistry
Year of publication	2000
Journal volume	10
Journal issue	9
Pages of publication	2011
a	11.1071 ± 0.0005 Å
b	25.4188 ± 0.0009 Å
c	12.5938 ± 0.0005 Å
α	90°
β	96.911 ± 0.007°
γ	90°
Cell volume	3529.8 ± 0.3 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0647
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for all reflections	0.1471
Weighted residual factors for significantly intense reflections	0.1338
Goodness-of-fit parameter for all reflections	1.037
Goodness-of-fit parameter for significantly intense reflections	1.075
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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