Crystallography Open Database

Information card for entry 1564989

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Coordinates	1564989.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C143 H224 O47
Calculated formula	C135 H192 O39
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	30.9611 ± 0.0002 Å
b	30.9611 ± 0.0002 Å
c	13.1204 ± 0.0001 Å
α	90°
β	90°
γ	120°
Cell volume	10892.1 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0662
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.1857
Weighted residual factors for all reflections included in the refinement	0.189
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	1564989.cif