Crystallography Open Database

Information card for entry 1547878

Preview

Coordinates	1547878.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H26 F9 O9 S3 Y
Calculated formula	C30 H26 F9 O9 S3 Y
SMILES	[Y]1234([O](CC[O]1CCOC)C)(OC(=CC(=[O]2)C(F)(F)F)c1sccc1)([O]=C(C=C(O3)C(F)(F)F)c1sccc1)OC(=CC(=[O]4)C(F)(F)F)c1sccc1
Title of publication	Cooperative loading of multisite receptors with lanthanide containers: an approach for organized luminescent metallopolymers.
Authors of publication	Babel, Lucille; Guénée, Laure; Besnard, Céline; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	2
Pages of publication	325 - 335
a	10.5124 ± 0.0003 Å
b	18.3614 ± 0.0005 Å
c	18.9788 ± 0.0005 Å
α	90°
β	98.264 ± 0.002°
γ	90°
Cell volume	3625.29 ± 0.17 Å³
Cell temperature	180 ± 0.14 K
Ambient diffraction temperature	180 ± 0.14 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.075
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.0943
Weighted residual factors for all reflections included in the refinement	0.1078
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation probe	x-ray
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
228726 (current)	2019-11-17	cif/ Updating files of 1547877, 1547878, 1547879, 1547880 Original log message: Adding full bibliography for 1547877--1547880.cif.	1547878.cif
202872	2017-11-07	cif/ Adding structures of 1547877, 1547878, 1547879, 1547880 via cif-deposit CGI script.	1547878.cif