Crystallography Open Database

Information card for entry 7113089

Preview

Coordinates	7113089.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1-[diphenyl-methylidenyl] -[3]ferrocenophane
Formula	C26 H22 Fe
Calculated formula	C26 H22 Fe
SMILES	[Fe]123456789[c]%10([cH]1[cH]2[cH]3[cH]4%10)C(=C(c1ccccc1)c1ccccc1)CC[c]15[cH]6[cH]7[cH]8[cH]91
Title of publication	Facile synthesis and strong antiproliferative activity of disubstituted diphenylmethylidenyl-[3]ferrocenophanes on breast and prostate cancer cell lines
Authors of publication	Görmen, Meral; Pigeon, Pascal; Top, Siden; Vessières, Anne; Plamont, Marie-Aude; Hillard, Elizabeth A.; Jaouen, Gérard
Journal of publication	MedChemComm
Year of publication	2010
Journal volume	1
Journal issue	2
Pages of publication	149
a	5.8601 ± 0.0009 Å
b	31.829 ± 0.004 Å
c	40.783 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	7606.9 ± 1.7 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	3
Space group number	43
Hermann-Mauguin space group symbol	F 2 d d
Hall space group symbol	F -2d 2
Residual factor for all reflections	0.0613
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for all reflections	0.0736
Weighted residual factors for significantly intense reflections	0.0655
Weighted residual factors for all reflections included in the refinement	0.0736
Goodness-of-fit parameter for all reflections included in the refinement	0.9642
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7113089.cif
112399	2014-05-01	cif/ Adding structures of 7113089, 7113090 via cif-deposit CGI script.	7113089.cif