Crystallography Open Database

Information card for entry 7713131

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Coordinates	7713131.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 N2 O
Calculated formula	C16 H18 N2 O
SMILES	Oc1c(/N=C(N(C)C)\c2c(cccc2)C)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	16.7113 ± 0.0006 Å
b	10.8251 ± 0.0004 Å
c	15.6437 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2829.97 ± 0.18 Å³
Cell temperature	110 ± 0.1 K
Ambient diffraction temperature	110 ± 0.1 K
Number of distinct elements	4
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0662
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0867
Weighted residual factors for all reflections included in the refinement	0.1016
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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.	7713131.cif