Crystallography Open Database

Information card for entry 2238805

Preview

Coordinates	2238805.cif
Original IUCr paper	HTML

Structure parameters

Common name	2,4,6-trinitrophenyl furan 2-carboxilate
Chemical name	2,4,6-Trinitrophenyl furan-2-carboxylate
Formula	C11 H5 N3 O9
Calculated formula	C11 H5 N3 O9
Title of publication	2,4,6-Trinitrophenyl furan-2-carboxylate
Authors of publication	Moreno-Fuquen, Rodolfo; Mosquera, Fabricio; Kennedy, Alan R.
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	11
Pages of publication	o1682
a	7.0982 ± 0.0003 Å
b	8.4931 ± 0.0004 Å
c	20.497 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1235.68 ± 0.1 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	4
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	0.0452
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0917
Weighted residual factors for all reflections included in the refinement	0.0948
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238805.cif
91222	2013-12-09	cif/ Adding structures of 2238805 via cif-deposit CGI script.	2238805.cif