Crystallography Open Database

Information card for entry 4033473

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Coordinates	4033473.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C205 H199 Cl12 N39 O39
Calculated formula	C205 H198 Cl12 N39 O39
Title of publication	A Switchable Helical Capsule for Encapsulation and Release of Potassium Ion.
Authors of publication	Wang, Wei; Zhang, Chenyang; Qi, Shuaiwei; Deng, Xiaoli; Yang, Bing; Liu, Junqiu; Dong, Zeyuan
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	4
Pages of publication	1898 - 1902
a	50.666 ± 0.01 Å
b	18.311 ± 0.004 Å
c	26.972 ± 0.005 Å
α	90°
β	122.15 ± 0.03°
γ	90°
Cell volume	21186 ± 10 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1711
Residual factor for significantly intense reflections	0.0709
Weighted residual factors for significantly intense reflections	0.1974
Weighted residual factors for all reflections included in the refinement	0.2396
Goodness-of-fit parameter for all reflections included in the refinement	0.925
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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