Crystallography Open Database

Information card for entry 7242420

Preview

Coordinates	7242420.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H146 Li6 O23 S8
Calculated formula	C96 H120 Li6 O20 S8
Title of publication	Lithium calix[4]arenes: structural studies and use in the ring opening polymerization of cyclic esters
Authors of publication	Santoro, Orlando; Elsegood, Mark R. J.; Teat, Simon J.; Yamato, Takehiko; Redshaw, Carl
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	19
Pages of publication	11304 - 11317
a	13.354 ± 0.012 Å
b	13.959 ± 0.009 Å
c	17.735 ± 0.014 Å
α	70.39 ± 0.04°
β	84.17 ± 0.05°
γ	62.02 ± 0.03°
Cell volume	2744 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2148
Residual factor for significantly intense reflections	0.1086
Weighted residual factors for significantly intense reflections	0.2623
Weighted residual factors for all reflections included in the refinement	0.3294
Goodness-of-fit parameter for all reflections included in the refinement	0.892
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
263110 (current)	2021-03-18	cif/ Adding structures of 7242418, 7242419, 7242420, 7242421, 7242422, 7242423, 7242424, 7242425, 7242426 via cif-deposit CGI script.	7242420.cif