Crystallography Open Database

Information card for entry 4084611

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Coordinates	4084611.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H84 Cl0 Fe4 O9 P2
Calculated formula	C66 H84 Fe4 O9 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	34.843 ± 0.0015 Å
b	8.2055 ± 0.0003 Å
c	21.7894 ± 0.0011 Å
α	90°
β	106.881 ± 0.005°
γ	90°
Cell volume	5961.2 ± 0.5 Å³
Cell temperature	109.95 ± 0.1 K
Ambient diffraction temperature	109.95 ± 0.1 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0352
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.076
Goodness-of-fit parameter for all reflections included in the refinement	0.983
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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