Crystallography Open Database

Information card for entry 7717763

Preview

Coordinates	7717763.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H27 Cl F3 N O9
Calculated formula	C17 H27 Cl F3 N O9
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	14.912 ± 0.0011 Å
b	9.679 ± 0.0005 Å
c	16.9652 ± 0.0012 Å
α	90°
β	111.895 ± 0.009°
γ	90°
Cell volume	2272 ± 0.3 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	0.2612
Residual factor for significantly intense reflections	0.1972
Weighted residual factors for significantly intense reflections	0.499
Weighted residual factors for all reflections included in the refinement	0.5429
Goodness-of-fit parameter for all reflections included in the refinement	1.924
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
298905 (current)	2025-04-05	cif/ Updating files of 7717762, 7717763, 7717764 Original log message: Adding full bibliography for 7717762--7717764.cif.	7717763.cif
297154	2025-01-07	cif/ Adding structures of 7717762, 7717763, 7717764 via cif-deposit CGI script.	7717763.cif