Crystallography Open Database

Information card for entry 7155756

Preview

Coordinates	7155756.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H36 N2 Si
Calculated formula	C20 H36 N2 Si
SMILES	C(C)(C)[Si](C(C)C)(C(C)C)C#CC(=C\C#N)/N(C(C)C)C(C)C
Title of publication	One-step synthesis of conjugated enynenitriles from bromocyanoacetylene.
Authors of publication	Ligny, Romain; Gauthier, Etienne S.; Yáñez, Manuel; Roisnel, Thierry; Guillemin, Jean-Claude; Trolez, Yann
Journal of publication	Organic & biomolecular chemistry
Year of publication	2017
a	15.4292 ± 0.0014 Å
b	15.571 ± 0.0014 Å
c	17.8509 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	4288.6 ± 0.7 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1021
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.1644
Weighted residual factors for all reflections included in the refinement	0.1955
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
198578 (current)	2017-07-08	cif/ Adding structures of 7155755, 7155756 via cif-deposit CGI script.	7155756.cif