Crystallography Open Database

Information card for entry 7205159

7205158 << 7205159 >> 7205160

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Coordinates	7205159.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52.84 H68.02 Cl1.34 N6 O13.17 S4
Calculated formula	C51 H62 N6 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	20.3779 ± 0.0012 Å
b	20.3779 ± 0.0012 Å
c	76.563 ± 0.009 Å
α	90°
β	90°
γ	120°
Cell volume	27534 ± 4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1431
Residual factor for significantly intense reflections	0.0638
Weighted residual factors for significantly intense reflections	0.145
Weighted residual factors for all reflections included in the refinement	0.1634
Goodness-of-fit parameter for all reflections included in the refinement	0.809
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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