Crystallography Open Database

Information card for entry 7059208

Preview

Coordinates	7059208.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H34 N10 O8
Calculated formula	C26 H34 N10 O8
Title of publication	Anion binding and fluoride ion induced conformational changes in bisurea receptors
Authors of publication	Shu, Xi; Fan, Yu; Li, Shoujian; Jin, Yongdong; Xia, Chuanqin; Huang, Chao
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	5
Pages of publication	2033 - 2045
a	9.0672 ± 0.0004 Å
b	13.1124 ± 0.0007 Å
c	14.5279 ± 0.0007 Å
α	92.323 ± 0.004°
β	106.84 ± 0.004°
γ	110.178 ± 0.005°
Cell volume	1532.65 ± 0.15 Å³
Cell temperature	293.52 ± 0.1 K
Ambient diffraction temperature	293.52 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.092
Residual factor for significantly intense reflections	0.0835
Weighted residual factors for significantly intense reflections	0.2038
Weighted residual factors for all reflections included in the refinement	0.2226
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257708 (current)	2020-10-06	cif/ Updating files of 7059208, 7059209, 7059210, 7059211, 7059212 Original log message: Adding full bibliography for 7059208--7059212.cif.	7059208.cif
247777	2020-02-04	cif/ Updating files of 7059208, 7059209, 7059210, 7059211, 7059212 Original log message: Adding full bibliography for 7059208--7059212.cif.	7059208.cif
246857	2020-01-15	cif/ Adding structures of 7059208, 7059209, 7059210, 7059211, 7059212 via cif-deposit CGI script.	7059208.cif