Crystallography Open Database

Information card for entry 4135060

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Coordinates	4135060.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C180 H168 N12 O3 S12
Calculated formula	C180 H168 N12 O3 S12
Title of publication	Controlled Hierarchical Self-Assembly of Catenated Cages.
Authors of publication	Sun, Zhongwei; Li, Pan; Xu, Shijun; Li, Zi-Ying; Nomura, Yoshiaki; Li, Zimu; Liu, Xiaoyun; Zhang, Shaodong
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
a	70.5814 ± 0.0019 Å
b	15.2442 ± 0.0004 Å
c	41.8633 ± 0.0011 Å
α	90°
β	118.04 ± 0.001°
γ	90°
Cell volume	39755.9 ± 1.9 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
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	0.1643
Residual factor for significantly intense reflections	0.1069
Weighted residual factors for significantly intense reflections	0.3125
Weighted residual factors for all reflections included in the refinement	0.3594
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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