Crystallography Open Database

Information card for entry 1543732

Preview

Coordinates	1543732.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,1-Dicyano-2,2-bis(4-dimethoxyphenyl)ethylene
Formula	C18 H14 N2 O2
Calculated formula	C18 H14 N2 O2
SMILES	O(c1ccc(C(=C(C#N)C#N)c2ccc(OC)cc2)cc1)C
Title of publication	Structure-activity relationship for the solid state emission of a new family of "push-pull"π-extended chromophores.
Authors of publication	Nitti, Andrea; Villafiorita-Monteleone, Francesca; Pacini, Aurora; Botta, Chiara; Virgili, Tersilla; Forni, Alessandra; Cariati, Elena; Boiocchi, Massimo; Pasini, Dario
Journal of publication	Faraday discussions
Year of publication	2017
Journal volume	196
Pages of publication	143 - 161
a	17.518 ± 0.004 Å
b	8.6661 ± 0.0015 Å
c	10.772 ± 0.003 Å
α	90°
β	110.164 ± 0.005°
γ	90°
Cell volume	1535.1 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0882
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1127
Weighted residual factors for all reflections included in the refinement	0.1323
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
193854 (current)	2017-03-05	cif/ Updating files of 1543731, 1543732 Original log message: Adding full bibliography for 1543731--1543732.cif.	1543732.cif
184638	2016-07-23	cif/ Adding structures of 1543731, 1543732 via cif-deposit CGI script.	1543732.cif