Crystallography Open Database

Information card for entry 7159028

Preview

Coordinates	7159028.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C136 H218 N8 O81 S8
Calculated formula	C136 H218 N8 O81 S8
Title of publication	Enhanced molecular binding affinity toward aromatic dications by anthracene-derived crown ethers in water.
Authors of publication	Zhou, Jia-Liang; Li, Yan-Hong; Zhang, Ying-Ming; Chen, Ling; Liu, Yu
Journal of publication	Organic & biomolecular chemistry
Year of publication	2022
Journal volume	21
Journal issue	1
Pages of publication	107 - 114
a	24.7343 ± 0.0013 Å
b	24.7343 ± 0.0013 Å
c	13.8021 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	8443.9 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	84
Hermann-Mauguin space group symbol	P 42/m
Hall space group symbol	-P 4c
Residual factor for all reflections	0.2687
Residual factor for significantly intense reflections	0.1676
Weighted residual factors for significantly intense reflections	0.4756
Weighted residual factors for all reflections included in the refinement	0.5819
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
281551 (current)	2023-03-04	cif/ Updating files of 7159028 Original log message: Adding full bibliography for 7159028.cif.	7159028.cif
279756	2022-12-07	cif/ Adding structures of 7159028 via cif-deposit CGI script.	7159028.cif