Crystallography Open Database

Information card for entry 7214763

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Coordinates	7214763.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H80 N2 O6
Calculated formula	C54 H80 N2 O6
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	14.993 ± 0.0005 Å
b	17.182 ± 0.0006 Å
c	20.278 ± 0.0005 Å
α	90°
β	104.334 ± 0.002°
γ	90°
Cell volume	5061.2 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0997
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1143
Weighted residual factors for all reflections included in the refinement	0.131
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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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