Crystallography Open Database

Information card for entry 1502773

Preview

Structure parameters

Formula	C30 H53 Mg N3 O2 Si2
Calculated formula	C30 H53 Mg N3 O2 Si2
SMILES	[Mg]123(N([Si](C)(C)C)[Si](C)(C)C)[N](Cc4c(O3)c(cc(c4)C)C(C)(C)C)(Cc3ccccc3[O]2C)CC[N]1(C)C
Title of publication	Highly Active Magnesium Initiators for Ring-Opening Polymerization ofrac-Lactide
Authors of publication	Wang, Liying; Ma, Haiyan
Journal of publication	Macromolecules
Year of publication	2010
Journal volume	43
Journal issue	16
Pages of publication	6535
a	13.032 ± 0.004 Å
b	14.817 ± 0.005 Å
c	17.543 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	3387.5 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1103
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.0633
Weighted residual factors for all reflections included in the refinement	0.0735
Goodness-of-fit parameter for all reflections included in the refinement	0.744
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
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1502773.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1502773.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502773.cif
36735	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1502773 via cif-deposit CGI script.	1502773.cif