Crystallography Open Database

Information card for entry 4025232

Preview

Coordinates	4025232.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H54 B F24 N4
Calculated formula	C58 H54 B F24 N4
Title of publication	On the Causes of Potential Inversion in 1,2,4,5-Tetrakis(amino)benzenes
Authors of publication	Christopher J. Adams; Rosenildo C. da Costa; Ruth Edge; Dennis H. Evans; Matthew F. Hood
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	1168 - 1178
a	12.2176 ± 0.0004 Å
b	12.7937 ± 0.0004 Å
c	21.1705 ± 0.0006 Å
α	97.433 ± 0.002°
β	96.91 ± 0.002°
γ	117.617 ± 0.001°
Cell volume	2845.6 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1046
Residual factor for significantly intense reflections	0.079
Weighted residual factors for significantly intense reflections	0.2247
Weighted residual factors for all reflections included in the refinement	0.2554
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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