Crystallography Open Database

Information card for entry 7214760

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Coordinates	7214760.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H60 N2 O4
Calculated formula	C44 H60 N2 O4
Title of publication	Alkyl and diether bridged N,N,N′,N′-tetra(2-hydroxybenzyl)diamines: effects of hydrogen bonding on structure and solubility
Authors of publication	Riisiö, Antti; Hänninen, Mikko M.; Sillanpää, Reijo
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	21
Pages of publication	7258
a	10.275 ± 0.0003 Å
b	10.275 ± 0.0003 Å
c	37.3096 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3938.98 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0827
Residual factor for significantly intense reflections	0.0671
Weighted residual factors for significantly intense reflections	0.1589
Weighted residual factors for all reflections included in the refinement	0.1706
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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