Crystallography Open Database

Information card for entry 7130845

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Coordinates	7130845.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	5-133_7
Formula	C22 H18 F6 N4
Calculated formula	C22 H18 F6 N4
Title of publication	Chelate-Free “Turn-ON”-Type Fluorescence Detection of Trivalent Metal Ions
Authors of publication	Matsumoto, Shota; Umeno, Tomohiro; Suzuki, Noriko; Usui, Kazuteru; Kawahata, Masatoshi; Karasawa, Satoru
Journal of publication	Chemical Communications
Year of publication	2022
a	7.65252 ± 0.00005 Å
b	36.6358 ± 0.0002 Å
c	14.87749 ± 0.0001 Å
α	90°
β	104.469 ± 0.0007°
γ	90°
Cell volume	4038.71 ± 0.05 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.032
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0838
Weighted residual factors for all reflections included in the refinement	0.0844
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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