Crystallography Open Database

Information card for entry 7238673

Preview

Coordinates	7238673.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 Fe O
Calculated formula	C20 H18 Fe O
Title of publication	Iron(ii) catalyzed dehydrative etherification of alcohols: a convenient route to ferrocenylmethanol-ethers
Authors of publication	Busetto, Luigi; Mazzoni, Rita; Salmi, Mauro; Zacchini, Stefano; Zanotti, Valerio
Journal of publication	RSC Advances
Year of publication	2012
Journal volume	2
Journal issue	17
Pages of publication	6810
a	7.418 ± 0.002 Å
b	10.583 ± 0.003 Å
c	10.003 ± 0.003 Å
α	90°
β	98.473 ± 0.003°
γ	90°
Cell volume	776.7 ± 0.4 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0865
Weighted residual factors for all reflections included in the refinement	0.092
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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