Crystallography Open Database

Information card for entry 1561279

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Structure parameters

Chemical name	2-ethoxy-4-(4-methoxyphenyl)-3-(trimethylsilyl)pyridine
Formula	C17 H23 N O2 Si
Calculated formula	C17 H23 N O2 Si
SMILES	[Si](c1c(ccnc1OCC)c1ccc(OC)cc1)(C)(C)C
Title of publication	Regioselective Difunctionalization of Pyridines via 3,4-Pyridynes
Authors of publication	Heinz, Benjamin; Djukanovic, Dimitrije; Filipponi, Paolo; Martin, Benjamin; Karaghiosoff, Konstantin; Knochel, Paul
Journal of publication	Chemical Science
Year of publication	2021
a	30.9518 ± 0.0006 Å
b	6.9485 ± 0.0002 Å
c	15.9226 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3424.45 ± 0.14 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0513
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.0934
Weighted residual factors for all reflections included in the refinement	0.0995
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
301787 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure.	1561279.cif
263337	2021-03-26	cif/ Adding structures of 1561277, 1561278, 1561279 via cif-deposit CGI script.	1561279.cif