Crystallography Open Database

Information card for entry 7242423

Preview

Coordinates	7242423.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C136 H200 Li8 O34.72 S8
Calculated formula	C136 H200 Li8 O34.722 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	17.8795 ± 0.0013 Å
b	23.8479 ± 0.0017 Å
c	17.995 ± 0.0013 Å
α	90°
β	111.905 ± 0.0011°
γ	90°
Cell volume	7118.9 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1116
Residual factor for significantly intense reflections	0.0973
Weighted residual factors for significantly intense reflections	0.2577
Weighted residual factors for all reflections included in the refinement	0.2797
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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.	7242423.cif