Crystallography Open Database

Information card for entry 7242418

Preview

Coordinates	7242418.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H36 Li5 N5 O5
Calculated formula	C38 H35.124 Li5 N5 O5
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	13.011 ± 0.007 Å
b	10.48 ± 0.006 Å
c	13.837 ± 0.008 Å
α	90°
β	112.332 ± 0.008°
γ	90°
Cell volume	1745.2 ± 1.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.2977
Residual factor for significantly intense reflections	0.1148
Weighted residual factors for significantly intense reflections	0.2025
Weighted residual factors for all reflections included in the refinement	0.276
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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.	7242418.cif