Crystallography Open Database

Information card for entry 7242425

Preview

Coordinates	7242425.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C116 H160 Li8 O17 S8
Calculated formula	C112 H152 Li8 O16 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	25.323 ± 0.013 Å
b	17.655 ± 0.009 Å
c	26.894 ± 0.014 Å
α	90°
β	105.218 ± 0.005°
γ	90°
Cell volume	11602 ± 10 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.2183
Residual factor for significantly intense reflections	0.0982
Weighted residual factors for significantly intense reflections	0.2165
Weighted residual factors for all reflections included in the refinement	0.2721
Goodness-of-fit parameter for all reflections included in the refinement	0.929
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.	7242425.cif