Crystallography Open Database

Information card for entry 2104947

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Structure parameters

Chemical name	bis(cinnamic acid).(hexamethylenetetramine)
Formula	C24 H28 N4 O4
Calculated formula	C24 H28 N4 O4
Title of publication	Seven hexamethylenetetramine (HMTA) complexes with mono- and dicarboxylic acids: analysis of packing modes of HMTA complexes in the literature
Authors of publication	Lemmerer, Andreas
Journal of publication	Acta Crystallographica Section B
Year of publication	2011
Journal volume	67
Journal issue	2
Pages of publication	177 - 192
a	30.803 ± 0.0006 Å
b	9.6904 ± 0.0002 Å
c	7.3655 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	2198.55 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0327
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0828
Weighted residual factors for all reflections included in the refinement	0.0844
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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