Crystallography Open Database

Information card for entry 3000315

Preview

No preview available: structure is on hold until 2021-12-07

Coordinates	Coordinates are not available: structure is on hold until 2021-12-07

Structure parameters

Chemical name	(R,Sp)-1-(2-(5-fluoro-1-methylindolin-2-yl)ferrocenyl)-N,N-dimethylethan-1-amine
Formula	C23 H25 F Fe N2
Authors of publication	Rakovský, Erik; Šebesta, Radovan
Journal of publication	To be published
a	9.9977 ± 0.0002 Å
b	11.1321 ± 0.0003 Å
c	17.8135 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1982.56 ± 0.08 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0238
Residual factor for significantly intense reflections	0.0229
Weighted residual factors for significantly intense reflections	0.0565
Weighted residual factors for all reflections included in the refinement	0.0569
Goodness-of-fit parameter for all reflections included in the refinement	1.0575
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Not available for prepublication material.