Crystallography Open Database

Information card for entry 1547327

Preview

Coordinates	1547327.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H29 Fe N O4
Calculated formula	C31 H29 Fe N O4
SMILES	[Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C(=C(c1ccc(O)cc1)c1ccc(O)cc1)CCCN1C(=O)CCC1=O)[cH]1[cH]8[cH]7[cH]6[cH]51
Title of publication	A New Series of Succinimido-ferrociphenols and Related Heterocyclic Species Induce Strong Antiproliferative Effects, Especially against Ovarian Cancer Cells Resistant to Cisplatin.
Authors of publication	Pigeon, Pascal; Wang, Yong; Top, Siden; Najlaoui, Feten; Garcia Alvarez, Maria Concepcion; Bignon, Jérôme; McGlinchey, Michael J.; Jaouen, Gérard
Journal of publication	Journal of medicinal chemistry
Year of publication	2017
Journal volume	60
Journal issue	20
Pages of publication	8358 - 8368
a	11.7418 ± 0.0003 Å
b	16.8025 ± 0.0005 Å
c	13.8536 ± 0.0004 Å
α	90°
β	112.354 ± 0.002°
γ	90°
Cell volume	2527.8 ± 0.13 Å³
Cell temperature	200 ± 1 K
Ambient diffraction temperature	200 ± 1 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	0.0393
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0847
Weighted residual factors for all reflections included in the refinement	0.0879
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
202667 (current)	2017-11-07	cif/ Updating files of 1547325, 1547327 Original log message: Adding full bibliography for 1547325--1547327.cif.	1547327.cif
201241	2017-09-25	cif/ Adding structures of 1547327 via cif-deposit CGI script.	1547327.cif