Crystallography Open Database

Information card for entry 7045098

Preview

Coordinates	7045098.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H30 N2 O2 Sn
Calculated formula	C34 H30 N2 O2 Sn
SMILES	C(=O)(c1ccc(cc1)/C=N/c1ccc(cc1)N(C)C)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Triphenylstannyl((arylimino)methyl)benzoates with selective potency that induce G1 and G2/M cell cycle arrest and trigger apoptosis via ROS in human cervical cancer cells.
Authors of publication	Basu Baul, Tushar S.; Longkumer, Imliwati; Duthie, Andrew; Singh, Priya; Koch, Biplob; Guedes da Silva, M Fátima C
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	6
Pages of publication	1993 - 2008
a	11.7022 ± 0.0006 Å
b	10.3673 ± 0.0006 Å
c	48.186 ± 0.002 Å
α	90°
β	92.817 ± 0.004°
γ	90°
Cell volume	5838.9 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1908
Residual factor for significantly intense reflections	0.1246
Weighted residual factors for significantly intense reflections	0.2046
Weighted residual factors for all reflections included in the refinement	0.2311
Goodness-of-fit parameter for all reflections included in the refinement	1.156
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
229587 (current)	2019-11-17	cif/ Updating files of 7045092, 7045093, 7045094, 7045095, 7045096, 7045097, 7045098, 7045099, 7045100 Original log message: Adding full bibliography for 7045092--7045100.cif.	7045098.cif
204386	2017-12-20	cif/ Adding structures of 7045092, 7045093, 7045094, 7045095, 7045096, 7045097, 7045098, 7045099, 7045100 via cif-deposit CGI script.	7045098.cif