Crystallography Open Database

Information card for entry 7712493

Preview

Coordinates	7712493.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H48 N2 O
Calculated formula	C48 H48 N2 O
SMILES	N1=C(OC[C@@H]1C(C)C)c1ccccc1Nc1c(C(c2ccccc2)c2ccccc2)cc(cc1C(c1ccccc1)c1ccccc1)C(C)(C)C
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	10.4019 ± 0.0003 Å
b	13.797 ± 0.0003 Å
c	15.2529 ± 0.0004 Å
α	66.674 ± 0.002°
β	77.295 ± 0.002°
γ	77.259 ± 0.002°
Cell volume	1939 ± 0.09 Å³
Cell temperature	122.99 ± 0.1 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0654
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.1528
Weighted residual factors for all reflections included in the refinement	0.1656
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
281243 (current)	2023-03-02	cif/ Adding structures of 7712489, 7712490, 7712491, 7712492, 7712493, 7712494, 7712495, 7712496, 7712497 via cif-deposit CGI script.	7712493.cif