Crystallography Open Database: Information card for 1501856

Structure parameters

Formula	C21 H22 Fe O6 S
Calculated formula	C21 H22 Fe O6 S
Title of publication	Diastereoselective spiroketalization: stereocontrol using an iron(0) tricarbonyl diene complex.
Authors of publication	Paley, Robert S.; Laupheimer, Madeleine C.; Erskine, Nathaniel A. K.; Rablen, Paul R.; Pike, Robert D.; Jones, James S.
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	1
Pages of publication	58 - 61
a	7.1397 ± 0.0001 Å
b	6.5723 ± 0.0001 Å
c	21.7434 ± 0.0004 Å
α	90°
β	98.501 ± 0.001°
γ	90°
Cell volume	1009.08 ± 0.03 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Hermann-Mauguin symmetry space group	P 1 21 1
Hall symmetry space group	P 2yb
Residual factor for all reflections	0.0288
Residual factor for observed reflections	0.0277
Weighted residual factors for the observed reflections	0.0657
Weighted residual factors for all reflections included in the refinement	0.0661
Goodness-of-fit parameter for observed reflections	1.073
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Crystallography Open Database