Crystallography Open Database

Information card for entry 7125364

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Coordinates	7125364.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57.5 H48.5 Cl3.5 F24 N4 P4
Calculated formula	C56 H46 F24 N4 P4
Title of publication	Tetraphenylethene-based tetracationic cyclophanes and their selective recognition for amino acids and adenosine derivatives in water.
Authors of publication	Cheng, Lin; Zhang, Haiyang; Dong, Yunhong; Zhao, Yanxia; Yu, Yang; Cao, Liping
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2019
Journal volume	55
Journal issue	16
Pages of publication	2372 - 2375
a	28.8044 ± 0.0017 Å
b	13.8129 ± 0.0008 Å
c	17.8677 ± 0.001 Å
α	90°
β	91.37 ± 0.001°
γ	90°
Cell volume	7107 ± 0.7 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1145
Residual factor for significantly intense reflections	0.0998
Weighted residual factors for significantly intense reflections	0.2686
Weighted residual factors for all reflections included in the refinement	0.2799
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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