Crystallography Open Database

Information card for entry 7156821

Preview

Coordinates	7156821.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H52 N4 O16
Calculated formula	C48 H52 N4 O16
Title of publication	Synthesis, structure, and anion binding of functional oxacalix[4]arenes.
Authors of publication	Ma, Jiao-Xia; Fang, Xu; Xue, Min; Yang, Yong
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	20
Pages of publication	5075 - 5085
a	8.71 ± 0.004 Å
b	11.844 ± 0.006 Å
c	13.132 ± 0.006 Å
α	94.145 ± 0.009°
β	105.695 ± 0.004°
γ	103.095 ± 0.009°
Cell volume	1257.3 ± 1 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 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	0.0559
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.1068
Goodness-of-fit parameter for all reflections included in the refinement	0.941
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
225182 (current)	2019-11-08	cif/ Updating files of 7156819, 7156820, 7156821 Original log message: Adding full bibliography for 7156819--7156821.cif.	7156821.cif
214879	2019-05-01	cif/ Adding structures of 7156819, 7156820, 7156821 via cif-deposit CGI script.	7156821.cif