Crystallography Open Database

Information card for entry 1564990

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Coordinates	1564990.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H132 O30 S6
Calculated formula	C114 H132 O30 S6
Title of publication	Noria and its derivatives as hosts for chemically and thermally robust Type II Porous Liquids
Authors of publication	Alexander, Francesca M.; Fonrouge, Sergio; Borioni, Jose Luis; Del Popolo, Mario G.; Horton, Peter; Coles, Simon; Hutchings, Benjamin; Crawford, Deborah E.; James, Stuart
Journal of publication	Chemical Science
Year of publication	2021
a	19.5728 ± 0.0005 Å
b	22.2124 ± 0.0007 Å
c	22.5739 ± 0.0006 Å
α	117.141 ± 0.003°
β	115.302 ± 0.003°
γ	90.835 ± 0.002°
Cell volume	7623.2 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1228
Residual factor for significantly intense reflections	0.0894
Weighted residual factors for significantly intense reflections	0.2586
Weighted residual factors for all reflections included in the refinement	0.2796
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
270012 (current)	2021-10-19	cif/ Adding structures of 1564989, 1564990 via cif-deposit CGI script.	1564990.cif