Crystallography Open Database

Information card for entry 1501793

Preview

Coordinates	1501793.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H44 F6 O6 P2 Pd S2
Calculated formula	C26 H44 F6 O6 P2 Pd S2
SMILES	CC(C)(C)[P]1(C(C)(C)C)Cc2ccccc2C[P](C(C)(C)C)(C(C)(C)C)[Pd]21OS(C(F)(F)F)(=[O]2)=O.C(F)(F)(F)S(=O)(=O)[O-]
Title of publication	Long-Chain Linear C19and C23Monomers and Polycondensates from Unsaturated Fatty Acid Esters
Authors of publication	Stempfle, Florian; Quinzler, Dorothee; Heckler, Ilona; Mecking, Stefan
Journal of publication	Macromolecules
Year of publication	2011
Journal volume	44
Journal issue	11
Pages of publication	4159
a	9.1472 ± 0.0003 Å
b	11.3899 ± 0.0005 Å
c	32.6773 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3404.5 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.029
Residual factor for significantly intense reflections	0.0253
Weighted residual factors for significantly intense reflections	0.0601
Weighted residual factors for all reflections included in the refinement	0.0607
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1501793.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1501793.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501793.cif
35145	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1501793 via cif-deposit CGI script.	1501793.cif