Crystallography Open Database

Information card for entry 7219025

7219024 << 7219025 >> 7219026

Preview

Coordinates	7219025.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H72 Cl2 N2 O13
Calculated formula	C45 H68.6 Cl2 N2 O13
Title of publication	Encapsulation of secondary and tertiary ammonium salts by resorcinarenes and pyrogallarenes: the effect of size and charge concentration
Authors of publication	Beyeh, N. K.; Pan, F.; Valkonen, A.; Rissanen, K.
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	5
Pages of publication	1182
a	11.509 ± 0.0003 Å
b	11.5275 ± 0.0002 Å
c	18.1749 ± 0.0004 Å
α	94.3636 ± 0.0017°
β	101.915 ± 0.0018°
γ	97.347 ± 0.0018°
Cell volume	2326.86 ± 0.09 Å³
Cell temperature	123 ± 0.1 K
Ambient diffraction temperature	123 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0639
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.159
Weighted residual factors for all reflections included in the refinement	0.1638
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180521 (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 7/21/90.	7219025.cif
133218	2015-03-06	cif/ Updating files of 7219020, 7219021, 7219022, 7219023, 7219024, 7219025 Original log message: Adding full bibliography for 7219020--7219025.cif.	7219025.cif
128163	2014-12-06	cif/ Adding structures of 7219020, 7219021, 7219022, 7219023, 7219024, 7219025 via cif-deposit CGI script.	7219025.cif