Crystallography Open Database

Information card for entry 4087405

Preview

Coordinates	4087405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H49 Ga N2 O3
Calculated formula	C32 H49 Ga N2 O3
SMILES	[Ga]1(O[C@H](C(=O)O1)C)(C)C.[N+]1(=CN(CC1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Dialkylgallium Alkoxides Stabilized with N-Heterocyclic Carbenes: Opportunities and Limitations for the Controlled and Stereoselective Polymerization of rac-Lactide
Authors of publication	Horeglad, Paweł; Cybularczyk, Martyna; Trzaskowski, Bartosz; Żukowska, Grażyna Zofia; Dranka, Maciej; Zachara, Janusz
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	14
Pages of publication	3480
a	10.80578 ± 0.00017 Å
b	16.9075 ± 0.0003 Å
c	17.92 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3273.96 ± 0.09 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	5
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	0.0334
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0646
Weighted residual factors for all reflections included in the refinement	0.0665
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
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
236780 (current)	2019-11-24	cif/ Adding structures of 4087405 via cif-deposit CGI script.	4087405.cif