Crystallography Open Database

Information card for entry 1556379

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Structure parameters

Formula	C31 H39 N3 O Zn
Calculated formula	C31 H39 N3 O Zn
SMILES	[Zn]12([n]3ccccc3CN1C(=CC(=[N]2c1c(cccc1C(C)C)C(C)C)C)C)Oc1c(cccc1C)C
Title of publication	Synthesis and structures of tridentate β-diketiminato zinc phenoxides as catalysts for immortal ring-opening polymerization of l-lactide
Authors of publication	Dai, Zhongran; Zhang, Jinjin; Gao, Yuan; Tang, Ning; Huang, Yong; Wu, Jincai
Journal of publication	Catalysis Science & Technology
Year of publication	2013
Journal volume	3
Journal issue	12
Pages of publication	3268
a	12.765 ± 0.006 Å
b	16.025 ± 0.014 Å
c	13.594 ± 0.01 Å
α	90°
β	98.6 ± 0.06°
γ	90°
Cell volume	2750 ± 3 Å³
Cell temperature	99.97 ± 0.15 K
Ambient diffraction temperature	99.97 ± 0.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0544
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.0875
Weighted residual factors for all reflections included in the refinement	0.1001
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1556379.cif
244410	2019-11-28	cif/ Adding structures of 1556378, 1556379, 1556380 via cif-deposit CGI script.	1556379.cif