Crystallography Open Database

Information card for entry 4084606

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Coordinates	4084606.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H86 Fe2 O8 P2
Calculated formula	C60 H86 Fe2 O8 P2
Title of publication	Planar Chirality from the Chiral Pool: Diastereoselective Anionic Phospho-Fries Rearrangements at Ferrocene
Authors of publication	Korb, Marcus; Lang, Heinrich
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	22
Pages of publication	6643
a	11.6913 ± 0.0004 Å
b	11.8705 ± 0.0004 Å
c	12.0874 ± 0.0004 Å
α	62.396 ± 0.003°
β	77.005 ± 0.003°
γ	69.734 ± 0.003°
Cell volume	1390.35 ± 0.09 Å³
Cell temperature	110 ± 1 K
Ambient diffraction temperature	110 ± 1 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0451
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.1058
Weighted residual factors for all reflections included in the refinement	0.1081
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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