Crystallography Open Database

Information card for entry 4517140

Preview

Coordinates	4517140.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	'(E)-2-((4-(dimethylamino)phenyl)diazenyl)benzoic acid'
Formula	C15 H15 N3 O2
Calculated formula	C15 H15 N3 O2
SMILES	c1(ccccc1/N=N/c1ccc(cc1)N(C)C)C(=O)O
Title of publication	Relating Electron Donor and Carboxylic Acid Anchoring Substitution Effects in Azo Dyes to Dye-Sensitized Solar Cell Performance
Authors of publication	Zhang, Lei; Cole, Jacqueline M.; Waddell, Paul G.; Low, Kian S.; Liu, Xiaogang
Journal of publication	ACS Sustainable Chemistry & Engineering
Year of publication	2013
Journal volume	1
Journal issue	11
Pages of publication	1440
a	8.252 ± 0.005 Å
b	8.511 ± 0.005 Å
c	11.23 ± 0.007 Å
α	92.512 ± 0.004°
β	110.205 ± 0.008°
γ	113.719 ± 0.004°
Cell volume	662.1 ± 0.7 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0598
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for all reflections included in the refinement	0.1392
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
243730 (current)	2019-11-26	cif/ Adding structures of 4517140, 4517141, 4517142, 4517143, 4517144, 4517145 via cif-deposit CGI script.	4517140.cif