Crystallography Open Database

Information card for entry 7039368

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Structure parameters

Formula	C55 H73 Mg N3 O Si3
Calculated formula	C55 H73 Mg N3 O Si3
SMILES	[Mg]12([N](Cc3c(O2)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc(c3)C)(C[C@H]2[N]1(CCC2)CCCC)Cc1ccccc1)N([Si](C)(C)C)[Si](C)(C)C.c1(ccccc1)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	10.0092 ± 0.0004 Å
b	22.1908 ± 0.0009 Å
c	23.6773 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	5259 ± 0.4 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 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	0.1072
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1359
Weighted residual factors for all reflections included in the refinement	0.1605
Goodness-of-fit parameter for all reflections included in the refinement	0.977
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	7039368.cif
185401	2016-08-07	cif/ Updating files of 7039365, 7039366, 7039367, 7039368 Original log message: Adding full bibliography for 7039365--7039368.cif.	7039368.cif
183198	2016-06-01	cif/ Adding structures of 7039365, 7039366, 7039367, 7039368 via cif-deposit CGI script.	7039368.cif