Crystallography Open Database

Information card for entry 7717762

Preview

Coordinates	7717762.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H52 Cl2 F6 N2 O18
Calculated formula	C34 H52 Cl2 F6 N2 O18
Title of publication	Anionic modulation induces molecular polarity in a three-component crown ether system.
Authors of publication	Liu, Feiyan; Chen, Guoyong; Liu, Xiao; Jiang, Ting; Guo, Wenjing; Li, Xiancai; Wei, Zhenhong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	7
Pages of publication	2793 - 2798
a	14.5944 ± 0.0005 Å
b	9.4697 ± 0.0002 Å
c	17.1687 ± 0.0005 Å
α	90°
β	111.882 ± 0.004°
γ	90°
Cell volume	2201.84 ± 0.13 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0683
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1581
Weighted residual factors for all reflections included in the refinement	0.1684
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
298905 (current)	2025-04-05	cif/ Updating files of 7717762, 7717763, 7717764 Original log message: Adding full bibliography for 7717762--7717764.cif.	7717762.cif
297154	2025-01-07	cif/ Adding structures of 7717762, 7717763, 7717764 via cif-deposit CGI script.	7717762.cif