Crystallography Open Database

Information card for entry 7231874

Preview

Coordinates	7231874.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H25 N8 O9
Calculated formula	C25 H25 N9 O9
Title of publication	Visible colorimetric fluoride and hydroxide sensing by asymmetric tris-urea receptors: combined experimental and theoretical studies
Authors of publication	Wang, Ruyu; Shu, Xi; Fan, Yu; Li, Shoujian; Jin, Yongdong; Huang, Chao
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	69
Pages of publication	39394
a	5.8865 ± 0.0002 Å
b	14.2293 ± 0.0007 Å
c	16.8469 ± 0.0008 Å
α	75.358 ± 0.004°
β	87.692 ± 0.003°
γ	82.114 ± 0.004°
Cell volume	1352.35 ± 0.11 Å³
Cell temperature	296.4 ± 0.7 K
Ambient diffraction temperature	296.4 ± 0.7 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	0.0649
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1539
Weighted residual factors for all reflections included in the refinement	0.1672
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
212195 (current)	2018-11-27	cif/ Adding structures of 7231874, 7231875, 7231876 via cif-deposit CGI script.	7231874.cif