Crystallography Open Database

Information card for entry 1505133

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Structure parameters

Formula	C16 H10 F5 I O4
Calculated formula	C16 H9 F5 I O4
SMILES	C([C@@H](COc1c(c(c(c(c1F)F)F)F)F)O)OC(=O)c1ccc(cc1)I
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	5.32 ± 0.008 Å
b	8.24 ± 0.012 Å
c	18.92 ± 0.03 Å
α	90 ± 0.006°
β	96.93 ± 0.007°
γ	90 ± 0.006°
Cell volume	823 ± 2 Å³
Cell temperature	103.15 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.059
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1491
Weighted residual factors for all reflections included in the refinement	0.1528
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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.	1505133.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.	1505133.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505133.cif
45372	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505133 via cif-deposit CGI script.	1505133.cif