Crystallography Open Database

Information card for entry 1505134

Preview

Structure parameters

Formula	C23 H13 F5 I2 O4
Calculated formula	C23 H13 F5 I2 O4
SMILES	Ic1ccc(C(=O)OC[C@H](OC(=O)c2ccc(cc2)I)Cc2c(F)c(F)c(F)c(F)c2F)cc1
Title of publication	Regioregular Polymerization of Fluorine-Containing Epoxides
Authors of publication	Sakakibara, Ken; Nakano, Koji; Nozaki, Kyoko
Journal of publication	Macromolecules
Year of publication	2007
Journal volume	40
Journal issue	17
Pages of publication	6136
a	5.7 ± 0.002 Å
b	19.459 ± 0.008 Å
c	20.815 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	2308.7 ± 1.5 Å³
Cell temperature	103.15 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	5
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	0.0643
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.0947
Weighted residual factors for all reflections included in the refinement	0.0982
Goodness-of-fit parameter for all reflections included in the refinement	1.161
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1505134.cif
176729	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.	1505134.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505134.cif
45373	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505134 via cif-deposit CGI script.	1505134.cif