Crystallography Open Database

Information card for entry 4025231

Preview

Coordinates	4025231.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Tetrakis(piperidylamino)benzene
Formula	C26 H42 N4
Calculated formula	C26 H42 N4
SMILES	c1(cc(N2CCCCC2)c(cc1N1CCCCC1)N1CCCCC1)N1CCCCC1
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	12.5482 ± 0.001 Å
b	8.0967 ± 0.0007 Å
c	13.0553 ± 0.0011 Å
α	90°
β	117.338 ± 0.004°
γ	90°
Cell volume	1178.26 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0628
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1188
Weighted residual factors for all reflections included in the refinement	0.1268
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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