Crystallography Open Database

Information card for entry 7712496

Preview

Coordinates	7712496.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H36 N2 O
Calculated formula	C34 H36 N2 O
SMILES	O1C(=N[C@@H](C(c2ccccc2)c2ccccc2)C1)c1c(Nc2c(cccc2C(C)C)C(C)C)cccc1
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	15.9991 ± 0.0002 Å
b	10.0533 ± 0.0001 Å
c	19.1215 ± 0.0002 Å
α	90°
β	112.015 ± 0.002°
γ	90°
Cell volume	2851.32 ± 0.07 Å³
Cell temperature	123 ± 0.1 K
Ambient diffraction temperature	123 ± 0.1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0529
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.134
Weighted residual factors for all reflections included in the refinement	0.1368
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
295677 (current)	2024-10-30	Fixing Z values and formulae	7712496.cif
281243	2023-03-02	cif/ Adding structures of 7712489, 7712490, 7712491, 7712492, 7712493, 7712494, 7712495, 7712496, 7712497 via cif-deposit CGI script.	7712496.cif