Crystallography Open Database

Information card for entry 7059210

Preview

Coordinates	7059210.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H26 N4 O4
Calculated formula	C18 H26 N4 O4
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	16.8164 ± 0.0006 Å
b	12.1616 ± 0.0004 Å
c	9.6474 ± 0.0003 Å
α	90°
β	98.674 ± 0.003°
γ	90°
Cell volume	1950.46 ± 0.11 Å³
Cell temperature	295.39 ± 0.1 K
Ambient diffraction temperature	295.39 ± 0.1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0804
Residual factor for significantly intense reflections	0.0766
Weighted residual factors for significantly intense reflections	0.1746
Weighted residual factors for all reflections included in the refinement	0.181
Goodness-of-fit parameter for all reflections included in the refinement	1.111
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

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