Crystallography Open Database

Information card for entry 7712490

Preview

Coordinates	7712490.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H21 Al Cl2 N2 O
Calculated formula	C23 H21 Al Cl2 N2 O
SMILES	Cl[Al]1(Cl)N(c2c(C3OCC([N]1=3)c1ccccc1)cccc2)c1c(C)cccc1C
Title of publication	Synthesis, Characterisation and Reactivity studies of Chiral β-Diketiminate-like Supported Aluminium Lewis Acid Complexes Towards Difficult Diels Alder Cycloadditions
Authors of publication	Dissanayake, Deepamali; Forsyth, Craig M.; Vidovic, Dragoslav
Journal of publication	Dalton Transactions
Year of publication	2023
a	16.06 ± 0.0014 Å
b	15.5021 ± 0.0011 Å
c	18.4978 ± 0.0017 Å
α	90°
β	112.814 ± 0.011°
γ	90°
Cell volume	4245 ± 0.7 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123.15 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.1066
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1395
Weighted residual factors for all reflections included in the refinement	0.155
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281243 (current)	2023-03-02	cif/ Adding structures of 7712489, 7712490, 7712491, 7712492, 7712493, 7712494, 7712495, 7712496, 7712497 via cif-deposit CGI script.	7712490.cif