Crystallography Open Database

Information card for entry 7221931

7221930 << 7221931 >> 7221932

Preview

Coordinates	7221931.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H28 O7 S4
Calculated formula	C33 H28.01 O7.01 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	37.498 ± 0.005 Å
b	37.498 ± 0.005 Å
c	11.9203 ± 0.0015 Å
α	90°
β	90°
γ	120°
Cell volume	14516 ± 3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.103
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.1616
Weighted residual factors for all reflections included in the refinement	0.2095
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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.	7221931.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.	7221931.cif
153779	2015-08-29	cif/ Adding structures of 7221927, 7221928, 7221929, 7221930, 7221931, 7221932 via cif-deposit CGI script.	7221931.cif