Crystallography Open Database

Information card for entry 7240841

Preview

Coordinates	7240841.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H15 Cl2 N3 O6
Calculated formula	C17 H15 Cl2 N3 O6
SMILES	Clc1cc(nc2c1ccc1c(Cl)cc(nc21)C(=O)O)C(=O)O.O=CN(C)C.O
Title of publication	The impact of alicyclic substituents on the extraction ability of new family of 1,10-phenanthroline-2,9-diamides
Authors of publication	Lemport, Pavel S.; Matveev, Petr I.; Yatsenko, Alexander V.; Evsiunina, Mariia V.; Petrov, Valentine S.; Tarasevich, Boris N.; Roznyatovsky, Vitaly A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Zhokhov, Sergey S.; Solov'ev, Vitaly P.; Aslanov, Leonid A.; Petrov, Vladimir G.; Kalmykov, Stepan N.; Nenajdenko, Valentine G.; Ustyniuk, Yuri A.
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	44
Pages of publication	26022 - 26033
a	7.1583 ± 0.0014 Å
b	8.352 ± 0.0017 Å
c	15.356 ± 0.003 Å
α	81.1 ± 0.03°
β	82.92 ± 0.03°
γ	78.62 ± 0.03°
Cell volume	885.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0335
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0871
Weighted residual factors for all reflections included in the refinement	0.0888
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.7879 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257978 (current)	2020-10-06	cif/ Updating files of 7240841, 7240842, 7240843, 7240844 Original log message: Adding full bibliography for 7240841--7240844.cif.	7240841.cif
254199	2020-07-11	cif/ Adding structures of 7240841, 7240842, 7240843, 7240844 via cif-deposit CGI script.	7240841.cif