Crystallography Open Database

Information card for entry 7217144

Preview

Coordinates	7217144.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 N2 O2
Calculated formula	C18 H22 N2 O2
Title of publication	Two-step dielectric anomalies coupled with structural phase transitions in co-crystal of 1,4-diazabicyclo[2.2.2]octane and 4, 4'-biphenol
Authors of publication	Ren, XiaoMing; Zhai, Lu; Ning, Wei-Hua
Journal of publication	RSC Advances
Year of publication	2014
a	12.1356 ± 0.0018 Å
b	6.34 ± 0.0011 Å
c	21.054 ± 0.003 Å
α	90°
β	98.846 ± 0.005°
γ	90°
Cell volume	1600.6 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0588
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1184
Weighted residual factors for all reflections included in the refinement	0.1257
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180502 (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 7/21/71.	7217144.cif
120479	2014-07-16	cif/ Adding structures of 7217142, 7217143, 7217144 via cif-deposit CGI script.	7217144.cif