Crystallography Open Database

Information card for entry 7111588

Preview

Coordinates	7111588.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H58 N2 O3 Zn
Calculated formula	C42 H58 N2 O3 Zn
Title of publication	Efficient carbonate synthesis under mild conditions through cycloaddition of carbon dioxide to oxiranes using a Zn(salphen) catalyst
Authors of publication	Decortes, Antonello; Martínez Belmonte, Marta; Benet-Buchholz, Jordi; Kleij, Arjan W.
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	25
Pages of publication	4580 - 4582
a	12.986 ± 0.0005 Å
b	25.1822 ± 0.0009 Å
c	11.9067 ± 0.0005 Å
α	90°
β	94.087 ± 0.002°
γ	90°
Cell volume	3883.8 ± 0.3 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	0.0707
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.14
Weighted residual factors for all reflections included in the refinement	0.1549
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
180229 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/15.	7111588.cif
96688	2014-01-29	cif/ Adding structures of 7111588, 7111589 via cif-deposit CGI script.	7111588.cif