Crystallography Open Database

Information card for entry 7220752

7220751 << 7220752 >> 7220753

Preview

Coordinates	7220752.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(E)-1-nitro-4-styrylbenzene
Formula	C14 H11 N O2
Calculated formula	C14 H11 N O2
SMILES	c1(ccc(N(=O)=O)cc1)/C=C/c1ccccc1
Title of publication	Aryl alkyl carbene-Pd complex assisted C-Cl bond activation: An unprecedented cross-coupling route to trans-stilbenes
Authors of publication	Jha, Abadh Kishor; Kishor, Shyam; Jain, Nidhi
Journal of publication	RSC Adv.
Year of publication	2015
a	7.89 ± 0.003 Å
b	10.185 ± 0.004 Å
c	28.422 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	2284 ± 1.4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.2395
Residual factor for significantly intense reflections	0.0952
Weighted residual factors for significantly intense reflections	0.2011
Weighted residual factors for all reflections included in the refinement	0.2695
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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
204137 (current)	2017-12-10	cif/7/ Updating space group information in entries 7216946, 7220752, 7222210, 7224570, 7226065.	7220752.cif
139072	2015-06-11	cif/ Adding structures of 7220752 via cif-deposit CGI script.	7220752.cif