Crystallography Open Database

Information card for entry 7060035

Preview

Coordinates	7060035.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H30 N4 O3 S
Calculated formula	C27 H30 N4 O3 S
Title of publication	A highly sensitive and selective fluorescent turn-on chemosensor bearing a 7-diethylaminocoumarin moiety for the detection of cyanide in organic and aqueous solutions
Authors of publication	Aydıner, Burcu; Şahin, Ömer; Çakmaz, Deniz; Kaplan, Gökhan; Kaya, Kerem; Özdemir, Ümmühan Özmen; Seferoğlu, Nurgül; Seferoğlu, Zeynel
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	44
Pages of publication	19155 - 19165
a	7.6487 ± 0.0014 Å
b	8.7524 ± 0.0014 Å
c	20.607 ± 0.003 Å
α	94.791 ± 0.007°
β	100.141 ± 0.007°
γ	109.862 ± 0.007°
Cell volume	1261.8 ± 0.4 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	311.4 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0617
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1256
Weighted residual factors for all reflections included in the refinement	0.1364
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
259609 (current)	2020-12-06	cif/ Updating files of 7060034, 7060035, 7060036 Original log message: Adding full bibliography for 7060034--7060036.cif.	7060035.cif
258308	2020-10-11	cif/ Adding structures of 7060034, 7060035, 7060036 via cif-deposit CGI script.	7060035.cif