Crystallography Open Database

Information card for entry 7037362

Preview

Coordinates	7037362.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H20 N2 Si
Calculated formula	C12 H20 N2 Si
SMILES	[Si](CC1Nc2c(NC1)cccc2)(C)(C)C
Title of publication	Assessing the reactivity of sodium alkyl-magnesiates towards quinoxaline: single electron transfer (SET) vs. nucleophilic alkylation processes.
Authors of publication	Livingstone, Zoe; Hernán-Gómez, Alberto; Baillie, Sharon E.; Armstrong, David R.; Carrella, Luca M.; Clegg, William; Harrington, Ross W.; Kennedy, Alan R.; Rentschler, Eva; Hevia, Eva
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	14
Pages of publication	6175 - 6182
a	10.1849 ± 0.0006 Å
b	15.8617 ± 0.0013 Å
c	8.22 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1327.94 ± 0.16 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.065
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1288
Weighted residual factors for all reflections included in the refinement	0.1369
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
181732 (current)	2016-04-05	cif/ Updating files of 7037359, 7037360, 7037361, 7037362 Original log message: Adding full bibliography for 7037359--7037362.cif.	7037362.cif
170438	2015-11-21	cif/ Adding structures of 7037359, 7037360, 7037361, 7037362 via cif-deposit CGI script.	7037362.cif