Crystallography Open Database

Information card for entry 4115164

Preview

Coordinates	4115164.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	b-N,N-(Dimethylamino)-4-nitrostyrene
Formula	C10 H12 N2 O2
Calculated formula	C10 H12 N2 O2
Title of publication	Structure and Stereodynamics of N,N-Bis(silyloxy)enamines
Authors of publication	Alexander A. Tishkov; Alexander D. Dilman; Valery I. Faustov; Arsenij A. Birukov; Konstantin S. Lysenko; Paul A. Belyakov; Sema L. Ioffe; Yury A. Strelenko; Michael Yu. Antipin
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	11358 - 11367
a	9.234 ± 0.002 Å
b	9.254 ± 0.002 Å
c	12.706 ± 0.003 Å
α	73.199 ± 0.004°
β	76.044 ± 0.005°
γ	70.494 ± 0.004°
Cell volume	967.1 ± 0.4 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.085
Residual factor for significantly intense reflections	0.0758
Weighted residual factors for significantly intense reflections	0.1885
Weighted residual factors for all reflections included in the refinement	0.1986
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178922 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/51.	4115164.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115164.cif
68593	2012-11-07	cif/ Adding structures of 4115164 via cif-deposit CGI script.	4115164.cif