Crystallography Open Database

Information card for entry 4347599

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Structure parameters

Formula	C41 H59 Cl2 N3 O Si2 Zn
Calculated formula	C41 H59 Cl2 N3 O Si2 Zn
SMILES	[Zn]12([N]3([C@H](C[N]1(Cc1c(O2)c(Cl)cc(Cl)c1)Cc1ccccc1)CCC3)CCCC)N([Si](C)(C)C)[Si](C)(C)C.c1ccccc1.c1ccccc1
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	9.5402 ± 0.001 Å
b	18.245 ± 0.002 Å
c	24.821 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4320.4 ± 0.8 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	7
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	0.0385
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0653
Weighted residual factors for all reflections included in the refinement	0.0684
Goodness-of-fit parameter for all reflections included in the refinement	0.996
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
301840 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure.	4347599.cif
232401	2019-11-23	cif/ Adding structures of 4347599, 4347600, 4347601, 4347602, 4347603, 4347604 via cif-deposit CGI script.	4347599.cif