Crystallography Open Database

Information card for entry 1547325

Preview

Coordinates	1547325.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35.5 H41 Fe N O7
Calculated formula	C35.5 H41 Fe N O7
SMILES	[Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C(CCCNC(=O)CCC(=O)O)=C(c1ccc(O)cc1)c1ccc(O)cc1)[cH]1[cH]5[cH]6[cH]7[cH]81.O=C(C)C.O=C(C)C.O
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	9.6462 ± 0.0003 Å
b	11.3462 ± 0.0003 Å
c	34.2707 ± 0.001 Å
α	81.024 ± 0.002°
β	83.266 ± 0.002°
γ	65.585 ± 0.002°
Cell volume	3367.79 ± 0.18 Å³
Cell temperature	200 ± 1 K
Ambient diffraction temperature	200 ± 1 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	0.0378
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0868
Weighted residual factors for all reflections included in the refinement	0.0895
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
214153 (current)	2019-03-18	cif/1 Fixing Z values and formulae	1547325.cif
202667	2017-11-07	cif/ Updating files of 1547325, 1547327 Original log message: Adding full bibliography for 1547325--1547327.cif.	1547325.cif
201239	2017-09-25	cif/ Adding structures of 1547325 via cif-deposit CGI script.	1547325.cif