Crystallography Open Database

Information card for entry 7120760

7120759 << 7120760 >> 7120761

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Coordinates	7120760.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H75 F12 N6 O14 P2
Calculated formula	C68 H75 F12 N6 O14 P2
Title of publication	Acid/base-controllable Fluorescent Molecular Switches Based on Cryptands and Basic N-Heteroaromatics
Authors of publication	Cheng, Ming; Zhang, Jing; Ren, Xintong; Guo, Shuwen; Xiao, Tangxin; Hu, Xiao-Yu; Jiang, Juli; Wang, Leyong
Journal of publication	Chem. Commun.
Year of publication	2017
a	10.902 ± 0.0004 Å
b	17.4447 ± 0.0006 Å
c	38.6793 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	7356.1 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0868
Residual factor for significantly intense reflections	0.0754
Weighted residual factors for significantly intense reflections	0.2337
Weighted residual factors for all reflections included in the refinement	0.2504
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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