Crystallography Open Database

Information card for entry 1560077

Preview

Coordinates	1560077.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H29 Al N2 O4
Calculated formula	C23 H29 Al N2 O4
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	7.869 ± 0.0001 Å
b	15.7511 ± 0.0002 Å
c	17.6113 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2182.84 ± 0.05 Å³
Cell temperature	149.98 ± 0.18 K
Ambient diffraction temperature	149.98 ± 0.18 K
Number of distinct elements	5
Hermann-Mauguin symmetry space group	P 21 21 21
Hall symmetry space group	P 2ac 2ab
Residual factor for all reflections	0.0391
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0957
Weighted residual factors for all reflections included in the refinement	0.098
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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.	1560077.cif
260924	2021-01-14	cif/ Adding structures of 1560075, 1560076, 1560077 via cif-deposit CGI script.	1560077.cif