Crystallography Open Database

Information card for entry 7160298

Preview

Coordinates	7160298.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H46 F4 N4 O2
Calculated formula	C50 H46 F4 N4 O2
Title of publication	Submicromolar fluorescence 'turn-on' detection of fluoride anions using <i>meso</i>-(tetra-aryl) calix[4]pyrrole.
Authors of publication	Roy, Anik; Dutta, Ranjan; Halder, Dibakar; Mandal, Koushik; Kundu, Somenath; Hossain, Maidul; Saha, Indrajit; Lee, Chang-Hee
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	5
Pages of publication	1209 - 1214
a	15.116 ± 0.006 Å
b	22.806 ± 0.009 Å
c	11.975 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4128 ± 3 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.081
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1224
Weighted residual factors for all reflections included in the refinement	0.1347
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
299078 (current)	2025-04-05	cif/ Updating files of 7160298, 7160299, 7160300, 7160301 Original log message: Adding full bibliography for 7160298--7160301.cif.	7160298.cif
296884	2024-12-17	cif/ Adding structures of 7160298, 7160299, 7160300, 7160301 via cif-deposit CGI script.	7160298.cif