Crystallography Open Database

Information card for entry 1568069

Preview

Coordinates	1568069.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H68 F N4 O13.2 S1.6
Calculated formula	C54 H67.9998 F N4 O13.1998 S1.5999
Title of publication	Turn-on fluorescent capsule for selective fluoride detection and water purification.
Authors of publication	Lin, Yannan; Du, Kang; Gau, Michael R.; Dmochowski, Ivan J.
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	2
Pages of publication	291 - 297
a	11.7156 ± 0.0001 Å
b	11.7156 ± 0.0001 Å
c	76.442 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	9086.4 ± 0.13 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0914
Residual factor for significantly intense reflections	0.0881
Weighted residual factors for significantly intense reflections	0.2744
Weighted residual factors for all reflections included in the refinement	0.2794
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
281369 (current)	2023-03-04	cif/ Updating files of 1568069 Original log message: Adding full bibliography for 1568069.cif.	1568069.cif
279789	2022-12-08	cif/ Adding structures of 1568069 via cif-deposit CGI script.	1568069.cif