Crystallography Open Database

Information card for entry 1568080

Preview

Coordinates	1568080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H108 Mg2 O6
Calculated formula	C70 H108 Mg2 O6
Title of publication	Bulky magnesium(ii) and sodium(i) bisphenoxide catalysts for chemoselective transesterification of methyl (meth)acrylates.
Authors of publication	Zhao, Xue; Ratanasak, Manussada; Kon, Kazumasa; Hasegawa, Jun-Ya; Ishihara, Kazuaki
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	3
Pages of publication	566 - 572
a	16.249 ± 0.0005 Å
b	10.644 ± 0.0003 Å
c	19.0878 ± 0.0005 Å
α	90°
β	96.071 ± 0.003°
γ	90°
Cell volume	3282.8 ± 0.16 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	4
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	0.0904
Residual factor for significantly intense reflections	0.0659
Weighted residual factors for significantly intense reflections	0.1699
Weighted residual factors for all reflections included in the refinement	0.1828
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation probe	x-ray
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
281397 (current)	2023-03-04	cif/ Updating files of 1568080, 1568081 Original log message: Adding full bibliography for 1568080--1568081.cif.	1568080.cif
279808	2022-12-09	cif/ Adding structures of 1568080, 1568081 via cif-deposit CGI script.	1568080.cif