Crystallography Open Database

Information card for entry 7217855

Preview

Coordinates	7217855.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H16.5 Cl N3.5 O5.5
Calculated formula	C14 H16.47 Cl N3.47 O5.53
Title of publication	Effect of inductive effect on the formation of cocrystals and eutectics
Authors of publication	Prasad, Karothu Durga; Cherukuvada, Suryanarayan; Devaraj Stephen, L.; Guru Row, Tayur N.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	42
Pages of publication	9930
a	7.0287 ± 0.0005 Å
b	15.0835 ± 0.0011 Å
c	14.7528 ± 0.0011 Å
α	90°
β	90.09 ± 0.006°
γ	90°
Cell volume	1564.1 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.082
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.1524
Weighted residual factors for all reflections included in the refinement	0.1651
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7217855.cif
126378	2014-11-06	cif/ Updating files of 7217852, 7217853, 7217854, 7217855 Original log message: Adding full bibliography for 7217852--7217855.cif.	7217855.cif
122695	2014-09-02	cif/ Adding structures of 7217852, 7217853, 7217854, 7217855 via cif-deposit CGI script.	7217855.cif