Crystallography Open Database

Information card for entry 7214413

Preview

Coordinates	7214413.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	C44-Succ 4-pyridyl-CONH-(CH2)6-NHCO-4-pyridyl, succinic acid
Formula	C22 H28 N4 O6
Calculated formula	C22 H28 N4 O6
Title of publication	Altering physical properties of pharmaceutical co-crystals in a systematic manner
Authors of publication	Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	26
Pages of publication	5870
a	5.0275 ± 0.0006 Å
b	6.9253 ± 0.0009 Å
c	16.058 ± 0.002 Å
α	89.749 ± 0.006°
β	81.536 ± 0.005°
γ	80.893 ± 0.006°
Cell volume	545.93 ± 0.12 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0533
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.1222
Weighted residual factors for all reflections included in the refinement	0.1305
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
180475 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/44.	7214413.cif
119396	2014-07-07	cif/ Updating files of 7214407, 7214408, 7214409, 7214410, 7214411, 7214412, 7214413, 7214414, 7214415, 7214416, 7214417 Original log message: Adding full bibliography for 7214407--7214417.cif.	7214413.cif
109532	2014-04-16	cif/ Adding structures of 7214407, 7214408, 7214409, 7214410, 7214411, 7214412, 7214413, 7214414, 7214415, 7214416, 7214417 via cif-deposit CGI script.	7214413.cif