Crystallography Open Database

Information card for entry 7039365

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Structure parameters

Formula	C31 H53 Mg N3 O Si2
Calculated formula	C31 H53 Mg N3 O Si2
SMILES	[Si](N([Si](C)(C)C)[Mg]12(Oc3c(cc(cc3C[N]2(C[C@H]2[N]1(CCC2)CCCC)Cc2ccccc2)C)C))(C)(C)C
Title of publication	Diastereoselective synthesis of chiral aminophenolate magnesium complexes and their application in the stereoselective polymerization of rac-lactide and rac-β-butyrolactone.
Authors of publication	Wang, Haobing; Guo, Jianshuang; Yang, Yang; Ma, Haiyan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	27
Pages of publication	10942 - 10953
a	14.6459 ± 0.0018 Å
b	13.6541 ± 0.0018 Å
c	18.104 ± 0.002 Å
α	90°
β	111.227 ± 0.002°
γ	90°
Cell volume	3374.7 ± 0.7 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 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	0.1247
Residual factor for significantly intense reflections	0.0673
Weighted residual factors for significantly intense reflections	0.1493
Weighted residual factors for all reflections included in the refinement	0.1796
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
301849 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure.	7039365.cif
185401	2016-08-07	cif/ Updating files of 7039365, 7039366, 7039367, 7039368 Original log message: Adding full bibliography for 7039365--7039368.cif.	7039365.cif
183198	2016-06-01	cif/ Adding structures of 7039365, 7039366, 7039367, 7039368 via cif-deposit CGI script.	7039365.cif