Crystallography Open Database

Information card for entry 7205156

7205155 << 7205156 >> 7205157

Preview

Coordinates	7205156.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H64 Cl4 N4 O12 S4
Calculated formula	C52 H64 Cl4 N4 O12 S4
Title of publication	Pendant orientation and its influence on the formation of hydrogen-bonded thiacalixarene nanotubes
Authors of publication	Li, Yan; Yang, Weiping; Chen, Yuanyin; Gong, Shuling
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	1
Pages of publication	259
a	42.4396 ± 0.0007 Å
b	14.2832 ± 0.0003 Å
c	21.6031 ± 0.0005 Å
α	90°
β	117.638 ± 0.004°
γ	90°
Cell volume	11601 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0811
Residual factor for significantly intense reflections	0.0691
Weighted residual factors for significantly intense reflections	0.1764
Weighted residual factors for all reflections included in the refinement	0.1832
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7205156.html