Crystallography Open Database

Information card for entry 4032369

Preview

Coordinates	4032369.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H25 Cl3 Fe2 N O3 P
Calculated formula	C29 H25 Cl3 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	14.5249 ± 0.0006 Å
b	10.2459 ± 0.0005 Å
c	19.6024 ± 0.0008 Å
α	90°
β	107.309 ± 0.004°
γ	90°
Cell volume	2785.1 ± 0.2 Å³
Cell temperature	115 ± 0.1 K
Ambient diffraction temperature	115 ± 0.1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0612
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0861
Weighted residual factors for all reflections included in the refinement	0.0924
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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.	4032369.cif