Crystallography Open Database

Information card for entry 7045095

Preview

Coordinates	7045095.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H27 N O3 Sn
Calculated formula	C33 H27 N O3 Sn
SMILES	C(=O)(c1ccc(cc1)/C=N/c1ccc(cc1)OC)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	8.3521 ± 0.0003 Å
b	17.4627 ± 0.0006 Å
c	38.415 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5602.8 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0863
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1098
Goodness-of-fit parameter for all reflections included in the refinement	1.159
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.	7045095.cif
204386	2017-12-20	cif/ Adding structures of 7045092, 7045093, 7045094, 7045095, 7045096, 7045097, 7045098, 7045099, 7045100 via cif-deposit CGI script.	7045095.cif