Crystallography Open Database

Information card for entry 2202626

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Structure parameters

Chemical name	N,N'-bis(2-hydroxycyclohexyl)-trans-cyclohexane-1,2-diamine
Formula	C18 H34 N2 O2
Calculated formula	C18 H34 N2 O2
SMILES	O[C@H]1CCCC[C@@H]1N[C@@H]1CCCC[C@H]1N[C@H]1CCCC[C@@H]1O.O[C@@H]1CCCC[C@H]1N[C@H]1CCCC[C@@H]1N[C@@H]1CCCC[C@H]1O
Title of publication	<i>N,N</i>'-Bis(2-hydroxycyclohexyl)-<i>trans</i>-cyclohexane-1,2-diamine: a structure reanalysed at low temperature
Authors of publication	de Sousa, Alvaro S.; Fernandes, Manuel A.
Journal of publication	Acta Crystallographica Section E
Year of publication	2003
Journal volume	59
Journal issue	12
Pages of publication	o1872 - o1874
a	11.8682 ± 0.0017 Å
b	17.512 ± 0.003 Å
c	10.279 ± 0.0015 Å
α	90°
β	123.074 ± 0.002°
γ	90°
Cell volume	1790.2 ± 0.5 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.0539
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1233
Weighted residual factors for all reflections included in the refinement	0.1311
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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