Crystallography Open Database

Information card for entry 4347604

Preview

Coordinates	4347604.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H47 Cl N2 O Zn
Calculated formula	C39 H47 Cl N2 O Zn
SMILES	[Zn]12(Cl)[N](Cc3c(O2)c(cc(c3)C(C)(C)c2ccccc2)C(C)(C)c2ccccc2)(C[C@H]2[N]1(CCC2)CC)Cc1ccccc1
Title of publication	Exploring Steric Effects in Diastereoselective Synthesis of Chiral Aminophenolate Zinc Complexes and Stereoselective Ring-Opening Polymerization of rac-Lactide.
Authors of publication	Wang, Haobing; Yang, Yang; Ma, Haiyan
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	15
Pages of publication	7356 - 7372
a	12.2375 ± 0.0013 Å
b	16.5783 ± 0.0018 Å
c	17.4078 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	3531.6 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.07
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.1019
Goodness-of-fit parameter for all reflections included in the refinement	0.974
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
232401 (current)	2019-11-23	cif/ Adding structures of 4347599, 4347600, 4347601, 4347602, 4347603, 4347604 via cif-deposit CGI script.	4347604.cif