Crystallography Open Database

Information card for entry 4032367

Preview

Coordinates	4032367.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33.9 H29.8 Cl1.8 Fe2 N O3 P
Calculated formula	C33.9 H29.8 Cl1.8 Fe2 N O3 P
Title of publication	Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements
Authors of publication	Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich
Journal of publication	The Journal of Organic Chemistry
Year of publication	2017
a	10.3336 ± 0.0007 Å
b	12.6046 ± 0.001 Å
c	13.4915 ± 0.0018 Å
α	117.494 ± 0.01°
β	95.558 ± 0.008°
γ	96.286 ± 0.006°
Cell volume	1527.6 ± 0.3 Å³
Cell temperature	112.8 ± 0.6 K
Ambient diffraction temperature	112.8 ± 0.6 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0954
Residual factor for significantly intense reflections	0.0777
Weighted residual factors for significantly intense reflections	0.2109
Weighted residual factors for all reflections included in the refinement	0.2253
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
194064 (current)	2017-03-08	cif/ Adding structures of 4032351, 4032352, 4032353, 4032354, 4032355, 4032356, 4032357, 4032358, 4032359, 4032360, 4032361, 4032362, 4032363, 4032364, 4032365, 4032366, 4032367, 4032368, 4032369 via cif-deposit CGI script.	4032367.cif