Crystallography Open Database

Information card for entry 7232503

Preview

Coordinates	7232503.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H22 N4 O3
Calculated formula	C21 H22 N4 O3
Title of publication	Synthesis and characterization of ethyl benzotriazolyl acrylate-based D‒π‒A fluorophores for live cell-based imaging applications
Authors of publication	Ortega-Villarreal, Ana Sofia; Hernández-Fernández, Eugenio; Jensen, Christopher; Valdivia-Berroeta, Gabriel A.; Garrard, Samuel; López, Israel; Smith, Stacey J.; Christensen, Kenneth A.; Reyes-González, Miguel A.; Michaelis, David J.
Journal of publication	RSC Advances
Year of publication	2019
Journal volume	9
Journal issue	16
Pages of publication	8759
a	17.5573 ± 0.001 Å
b	6.3237 ± 0.0004 Å
c	33.7271 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	3744.6 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0382
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.0958
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
214183 (current)	2019-03-19	cif/ Adding structures of 7232501, 7232502, 7232503 via cif-deposit CGI script.	7232503.cif