Crystallography Open Database

Information card for entry 8102070

8102069 << 8102070 >> 8102071

Preview

Coordinates	8102070.cif

Structure parameters

Chemical name	1,2-bis(pyridin-1-ium-4-yl)ethylene bis(5-fluorouracil-1-acetate)
Formula	C24 H20 F2 N6 O8
Calculated formula	C24 H20 F2 N6 O8
Title of publication	Crystal structure of 1,2-bis(pyridin-1-ium-4-yl)ethylene bis(5-fluorouracil- 1-acetate), (C~12~H~12~N~2~)[C~6~H~4~FN~2~O~4~]~2~
Authors of publication	Chen, F.; Xiang, G.-Q.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2006
Journal volume	221
Journal issue	4
Pages of publication	514 - 516
a	13.999 ± 0.008 Å
b	13.295 ± 0.007 Å
c	25.97 ± 0.015 Å
α	90°
β	90°
γ	90°
Cell volume	4833 ± 5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.8107
Residual factor for significantly intense reflections	0.0782
Weighted residual factors for significantly intense reflections	0.1736
Weighted residual factors for all reflections included in the refinement	0.1933
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (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 8.	8102070.cif
108008	2014-03-26	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8102070.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102070.cif
12809	2011-03-05	../uploads/cif-deposit/cod/cif Adding structures of 8102070 via cif-deposit CGI script.	8102070.cif