Crystallography Open Database

Information card for entry 7239739

Preview

Coordinates	7239739.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H32 O8
Calculated formula	C44 H32 O8
Title of publication	Weak intermolecular interaction directed assembly of calix[4]arene derivatives
Authors of publication	Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	46
Pages of publication	7114
a	17.7822 ± 0.0006 Å
b	17.782 ± 0.002 Å
c	43.687 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	13814 ± 1.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1834
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.0714
Weighted residual factors for all reflections included in the refinement	0.0841
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7239739.html