Crystallography Open Database

Information card for entry 4129652

Preview

Coordinates	4129652.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H27 N2 O2 S Si
Calculated formula	C24 H27 N2 O2 S Si
SMILES	c1(cccc2cccnc12)S(=O)(=O)N1CC=C(C(C1)[Si](CC)CC)c1ccccc1
Title of publication	Selective Silylative Reduction of Pyridines Leading to Structurally Diverse Azacyclic Compounds with the Formation of sp³ C-Si Bonds.
Authors of publication	Gandhamsetty, Narasimhulu; Park, Sehoon; Chang, Sukbok
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	48
Pages of publication	15176 - 15184
a	6.985 ± 0.004 Å
b	25.542 ± 0.013 Å
c	13.145 ± 0.007 Å
α	90°
β	103.904 ± 0.011°
γ	90°
Cell volume	2276 ± 2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1425
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.1061
Weighted residual factors for all reflections included in the refinement	0.1384
Goodness-of-fit parameter for all reflections included in the refinement	0.894
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
240331 (current)	2019-11-25	cif/ Adding structures of 4129652 via cif-deposit CGI script.	4129652.cif