Crystallography Open Database

Information card for entry 7159696

Preview

Coordinates	7159696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H45 Cl F6 N6 S
Calculated formula	C39 H45 Cl F6 N6 S
Title of publication	A chloride-responsive molecular switch: driving ion transport and empowering antibacterial properties.
Authors of publication	Das, Sribash; Karn, Rama; Kumar, Mohit; Srimayee, Soumya; Manna, Debasis
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	22
Journal issue	1
Pages of publication	114 - 119
a	9.2259 ± 0.0011 Å
b	17.758 ± 0.002 Å
c	25.991 ± 0.003 Å
α	90°
β	95.635 ± 0.004°
γ	90°
Cell volume	4237.6 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1433
Residual factor for significantly intense reflections	0.0879
Weighted residual factors for significantly intense reflections	0.2113
Weighted residual factors for all reflections included in the refinement	0.2645
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
289605 (current)	2024-02-04	cif/ Updating files of 7159695, 7159696 Original log message: Adding full bibliography for 7159695--7159696.cif.	7159696.cif
287797	2023-11-25	cif/ Adding structures of 7159695, 7159696 via cif-deposit CGI script.	7159696.cif