Crystallography Open Database

Information card for entry 1505782

Preview

Coordinates	1505782.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H24.4 Cl7.6 O6
Calculated formula	C40 H24.4 Cl7.6 O6
Title of publication	Synthesis of a Catechol-Based Poly(ether ether ketone) (“o-PEEK”) by Classical Step-Growth Polymerization and by Entropically Driven Ring-Opening Polymerization of Macrocyclic Oligomers
Authors of publication	Ben-Haida, Abderrazak; Colquhoun, Howard M.; Hodge, Philip; Williams, David J.
Journal of publication	Macromolecules
Year of publication	2006
Journal volume	39
Journal issue	19
Pages of publication	6467
a	35.831 ± 0.004 Å
b	6.1603 ± 0.0008 Å
c	17.0632 ± 0.0017 Å
α	90°
β	90.397 ± 0.008°
γ	90°
Cell volume	3766.3 ± 0.7 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0866
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for significantly intense reflections	0.148
Weighted residual factors for all reflections included in the refinement	0.1627
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1505782.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505782.cif
47737	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505782 via cif-deposit CGI script.	1505782.cif