Crystallography Open Database

Information card for entry 4347602

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Structure parameters

Formula	C45 H65 N3 O Si2 Zn
Calculated formula	C45 H65 N3 O Si2 Zn
SMILES	[Zn]12([N](Cc3c(O2)c(cc(c3)C)C(c2ccccc2)(c2ccccc2)c2ccccc2)(C[C@H]2[N]1(CCC2)CCCC)C(C)C)N([Si](C)(C)C)[Si](C)(C)C
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	15.123 ± 0.002 Å
b	10.8882 ± 0.0014 Å
c	16.463 ± 0.002 Å
α	90°
β	111.496 ± 0.003°
γ	90°
Cell volume	2522.3 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.093
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.1359
Weighted residual factors for all reflections included in the refinement	0.1487
Goodness-of-fit parameter for all reflections included in the refinement	0.937
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.	4347602.cif
232401	2019-11-23	cif/ Adding structures of 4347599, 4347600, 4347601, 4347602, 4347603, 4347604 via cif-deposit CGI script.	4347602.cif