Crystallography Open Database

Information card for entry 4084608

Preview

Coordinates	4084608.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50.25 H76.5 Cl0.5 Fe O7 P2
Calculated formula	C50.25 H76.5 Cl0.5 Fe O7 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	43.1922 ± 0.0008 Å
b	8.5461 ± 0.0002 Å
c	26.5582 ± 0.0005 Å
α	90°
β	90.458 ± 0.002°
γ	90°
Cell volume	9803 ± 0.3 Å³
Cell temperature	110 ± 0.1 K
Ambient diffraction temperature	110 ± 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	0.037
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0807
Weighted residual factors for all reflections included in the refinement	0.0825
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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