Crystallography Open Database

Information card for entry 7122371

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Structure parameters

Formula	C97 H114 N10 O18
Calculated formula	C97 H114 N10 O18
Title of publication	Construction of [2]rotaxane-based supramolecular polymers driven by wheel-stopper ππ interactions.
Authors of publication	Zeng, Xianqiang; Deng, Hongmei; Jia, Xueshun; Cui, Lei; Li, Jian; Li, Chunju; Fang, Jianhui
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	82
Pages of publication	11634 - 11637
a	15.635 ± 0.016 Å
b	15.853 ± 0.016 Å
c	20.76 ± 0.02 Å
α	76.822 ± 0.014°
β	87.31 ± 0.014°
γ	85.63 ± 0.014°
Cell volume	4993 ± 9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1585
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1737
Weighted residual factors for all reflections included in the refinement	0.2077
Goodness-of-fit parameter for all reflections included in the refinement	0.908
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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