Crystallography Open Database

Information card for entry 7713132

Preview

Coordinates	7713132.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 N2 O
Calculated formula	C21 H20 N2 O
SMILES	Oc1c(/N=C(/N2CCCC2)c2c3ccccc3ccc2)cccc1
Title of publication	Al and Zn phenoxy-amidine complexes for lactide ROP catalysis.
Authors of publication	Théron, Benjamin; Vaillant-Coindard, Valentin; Balan, Cédric; Rousselin, Yoann; Bayardon, Jérôme; Malacea-Kabbara, Raluca; Le Gendre, Pierre
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
a	8.7993 ± 0.0002 Å
b	9.56 ± 0.0003 Å
c	11.033 ± 0.0004 Å
α	92.371 ± 0.002°
β	100.401 ± 0.002°
γ	114.782 ± 0.002°
Cell volume	821.64 ± 0.05 Å³
Cell temperature	110 ± 0.1 K
Ambient diffraction temperature	110 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0587
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.1061
Weighted residual factors for all reflections included in the refinement	0.1193
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα~1~
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283949 (current)	2023-05-23	cif/ Adding structures of 7713130, 7713131, 7713132, 7713133, 7713134, 7713135, 7713136, 7713137, 7713138, 7713139, 7713140, 7713141, 7713142, 7713143, 7713144, 7713145, 7713146 via cif-deposit CGI script.	7713132.cif