Crystallography Open Database

Information card for entry 4347603

Preview

Coordinates	4347603.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H52 N2 O Zn
Calculated formula	C41 H52 N2 O Zn
SMILES	[Zn]12([N](Cc3c(O2)c(cc(c3)C(C)(C)c2ccccc2)C(C)(C)c2ccccc2)(C[C@H]2[N]1(CCC2)CC)Cc1ccccc1)CC
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	8.3865 ± 0.0009 Å
b	17.5334 ± 0.0019 Å
c	23.826 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3503.5 ± 0.7 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	5
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	0.0528
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0769
Weighted residual factors for all reflections included in the refinement	0.0834
Goodness-of-fit parameter for all reflections included in the refinement	0.992
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.	4347603.cif