Crystallography Open Database

Information card for entry 2100706

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Coordinates	2100706.cif
Original IUCr paper	HTML

Structure parameters

Common name	hexamethylenetetramine resorcinol
Formula	C12 H18 N4 O2
Title of publication	Growth-induced incommensurability observed in the organic co-crystal hexamethylenetetramine resorcinol
Authors of publication	Rodriguez, Soraya MAria Belluga; Palatinus, Lukas; Chapuis, Gervais
Journal of publication	Acta Crystallographica Section B
Year of publication	2006
Journal volume	62
Journal issue	6
Pages of publication	1043 - 1050
a	10.3474 Å
b	7.0763 Å
c	16.8321 Å
α	90°
β	90°
γ	90°
Cell volume	1232.47 Å³
Ambient diffraction temperature	298 K
Number of distinct elements	4
Hermann-Mauguin space group symbol	Xmcm(0\b0)s0s
Residual factor for all reflections	0.0932
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.0605
Weighted residual factors for all reflections included in the refinement	0.0716
Goodness-of-fit parameter for all reflections included in the refinement	1.66
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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