Crystallography Open Database

Information card for entry 7221929

7221928 << 7221929 >> 7221930

Preview

Coordinates	7221929.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31.17 H28.17 Cl0.51 O5 S4
Calculated formula	C31.1667 H28 Cl0.163333 O5 S4
Title of publication	‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions
Authors of publication	Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	40
Pages of publication	7663
a	36.329 ± 0.005 Å
b	36.329 ± 0.005 Å
c	11.8166 ± 0.0016 Å
α	90°
β	90°
γ	120°
Cell volume	13506 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0827
Residual factor for significantly intense reflections	0.0753
Weighted residual factors for significantly intense reflections	0.2209
Weighted residual factors for all reflections included in the refinement	0.2301
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7221929.cif
171094	2015-12-09	cif/ Updating files of 7221927, 7221928, 7221929, 7221930, 7221931, 7221932 Original log message: Adding full bibliography for 7221927--7221932.cif.	7221929.cif
153779	2015-08-29	cif/ Adding structures of 7221927, 7221928, 7221929, 7221930, 7221931, 7221932 via cif-deposit CGI script.	7221929.cif