Crystallography Open Database

Information card for entry 1560075

Preview

Coordinates	1560075.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H27 Al N2 O6
Calculated formula	C23 H27 Al N2 O6
SMILES	[Al]1234(Oc5c(C=[N]4CC(C)(C[N]3=Cc3c(O2)c(OC)ccc3)C)cccc5OC)[O]=C(O1)C
Title of publication	Ortho-vanillin derived Al(iii) and Co(iii) catalyst systems for switchable catalysis using ε-decalactone, phthalic anhydride and cyclohexene oxide
Authors of publication	Diment, Wilfred T.; Stößer, Tim; Kerr, Ryan W. F.; Phanopoulos, Andreas; Durr, Christopher B.; Williams, Charlotte K.
Journal of publication	Catalysis Science & Technology
Year of publication	2021
Journal volume	11
Journal issue	5
Pages of publication	1737 - 1745
a	8.9958 ± 0.0001 Å
b	12.8818 ± 0.0001 Å
c	19.2304 ± 0.0002 Å
α	90°
β	96.615 ± 0.001°
γ	90°
Cell volume	2213.62 ± 0.04 Å³
Cell temperature	150.01 ± 0.15 K
Ambient diffraction temperature	150.01 ± 0.15 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	0.0335
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.083
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
263610 (current)	2021-04-05	cif/ Updating files of 1560075, 1560076, 1560077 Original log message: Adding full bibliography for 1560075--1560077.cif.	1560075.cif
260924	2021-01-14	cif/ Adding structures of 1560075, 1560076, 1560077 via cif-deposit CGI script.	1560075.cif