Crystallography Open Database

Information card for entry 2101425

Preview

Coordinates	2101425.cif
Original IUCr paper	HTML

Structure parameters

Common name	1-Ferrocenyl-1-phenyl-2-methylpropan-1-ol
Chemical name	1-Ferrocenyl-1-phenyl-2-methylpropan-1-ol
Formula	C20 H22 Fe O
Calculated formula	C20 H22 Fe O
Title of publication	Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol
Authors of publication	Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G.
Journal of publication	Acta Crystallographica Section B
Year of publication	1996
Journal volume	52
Journal issue	1
Pages of publication	110 - 121
a	25.387 ± 0.004 Å
b	7.6825 ± 0.0006 Å
c	17.803 ± 0.003 Å
α	90°
β	108.217 ± 0.017°
γ	90°
Cell volume	3298.2 ± 0.9 Å³
Cell temperature	294 ± 1 K
Ambient diffraction temperature	294 ± 1 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.027
Residual factor for significantly intense reflections	0.022
Weighted residual factors for all reflections	0.036
Weighted residual factors for significantly intense reflections	0.035
Goodness-of-fit parameter for significantly intense reflections	1.11
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MolybdenumKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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