Crystallography Open Database

Information card for entry 7225124

Preview

Coordinates	7225124.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H42 F2 N4 O2
Calculated formula	C38 H42 F2 N4 O2
SMILES	Fc1ccc([C@@H]2CN([C@@]3(c4ccccc4N(CN4CCCCC4)C3=O)[C@]32C(=O)C(=C\c2ccc(F)cc2)\CN(C3)CCC)C)cc1.Fc1ccc([C@H]2CN([C@]3(c4ccccc4N(CN4CCCCC4)C3=O)[C@@]32C(=O)C(=C\c2ccc(F)cc2)\CN(C3)CCC)C)cc1
Title of publication	Synthesis and molecular modeling studies of indole-based antitumor agents
Authors of publication	Girgis, AS; George, Riham F.; Panda, Siva S.; Shalaby, ElSayed M.; Srour, Aladdin M.; Farag, I. S. Ahmed
Journal of publication	RSC Adv.
Year of publication	2016
a	12.3371 ± 0.0004 Å
b	16.2079 ± 0.0007 Å
c	17.0271 ± 0.0009 Å
α	90°
β	100.522 ± 0.002°
γ	90°
Cell volume	3347.5 ± 0.3 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.4516
Residual factor for significantly intense reflections	0.0683
Weighted residual factors for all reflections	0.2577
Weighted residual factors for significantly intense reflections	0.1314
Weighted residual factors for all reflections included in the refinement	0.1314
Goodness-of-fit parameter for all reflections included in the refinement	1.0144
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
182589 (current)	2016-05-05	cif/ Adding structures of 7225123, 7225124 via cif-deposit CGI script.	7225124.cif