Crystallography Open Database

Information card for entry 7242426

Preview

Coordinates	7242426.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C134 H198 Li5 Na O35.28 S8
Calculated formula	C124 H178 Li5 Na O32.78 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	38.167 ± 0.003 Å
b	20.3517 ± 0.0014 Å
c	18.4867 ± 0.0013 Å
α	90°
β	99.9979 ± 0.0005°
γ	90°
Cell volume	14141.7 ± 1.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0663
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1717
Weighted residual factors for all reflections included in the refinement	0.1762
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
263110 (current)	2021-03-18	cif/ Adding structures of 7242418, 7242419, 7242420, 7242421, 7242422, 7242423, 7242424, 7242425, 7242426 via cif-deposit CGI script.	7242426.cif