Crystallography Open Database

Information card for entry 7214591

Preview

Coordinates	7214591.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23.09 H18.78 Cl0.41 O3
Calculated formula	C23.1 H16 Cl0.4 O3
Title of publication	How to monitor guest exchange in host‒guest systems
Authors of publication	Nassimbeni, Luigi R.; Su, Hong
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	37
Pages of publication	7396
a	8.3704 ± 0.0003 Å
b	9.0991 ± 0.0004 Å
c	12.6749 ± 0.0006 Å
α	95.811 ± 0.001°
β	96.459 ± 0.001°
γ	110.021 ± 0.003°
Cell volume	891.11 ± 0.07 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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	0.1128
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1124
Weighted residual factors for all reflections included in the refinement	0.1328
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
180476 (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 7/21/45.	7214591.cif
110314	2014-04-18	cif/ Adding structures of 7214588, 7214589, 7214590, 7214591, 7214592 via cif-deposit CGI script.	7214591.cif