Crystallography Open Database

Information card for entry 7123476

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Coordinates	7123476.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H36 B F4 N3 O6
Calculated formula	C24 H36 B F4 N3 O6
Title of publication	Unprecedented Water-Controlled Rotator‒Stator Conversion of Supramolecular Rotor in Crystals
Authors of publication	Huang, Rui-Kang; Xiao, Zhi-Feng; Liu, De-Xuan; Zhang, Wei-Xiong; Chen, Xiao-Ming
Journal of publication	Chemical Communications
Year of publication	2019
a	8.25835 ± 0.0001 Å
b	18.7293 ± 0.0002 Å
c	17.91116 ± 0.00019 Å
α	90°
β	96.2603 ± 0.0009°
γ	90°
Cell volume	2753.85 ± 0.05 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0322
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0804
Weighted residual factors for all reflections included in the refinement	0.0818
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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