Crystallography Open Database

Information card for entry 7205590

7205589 << 7205590 >> 7205591

Preview

Coordinates	7205590.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	cinnamic acid 3-nitrobenzamide co-crystal
Chemical name	cinnamic acid 3-nitrobenzamide co-crystal
Formula	C16 H14 N2 O5
Calculated formula	C16 H14 N2 O5
Title of publication	Electrochemically induced co-crystallization for product removal
Authors of publication	Urbanus, Johan; Roelands, C. P. Mark; Mazurek, Jaroslaw; Verdoes, Dirk; ter Horst, Joop H.
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	8
Pages of publication	2817
a	6.9358 ± 0.0005 Å
b	7.3424 ± 0.0004 Å
c	16.7449 ± 0.0009 Å
α	90.167 ± 0.007°
β	100.702 ± 0.005°
γ	116.683 ± 0.002°
Cell volume	745.05 ± 0.08 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Goodness-of-fit parameter for all reflections	3.202
Method of determination	powder diffraction
Diffraction radiation wavelength	1.54056 Å
Diffraction radiation type	CuKα~1~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180386 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/55.	7205590.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205590.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205590.cif
20968	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7205590 via cif-deposit CGI script.	7205590.cif