Crystallography Open Database

Information card for entry 2206710

2206709 << 2206710 >> 2206711

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Structure parameters

Chemical name	Diethyl N,N'-cyclohexane-1,4-diyldioxalamate
Formula	C14 H22 N2 O6
Calculated formula	C14 H22 N2 O6
SMILES	CCOC(=O)C(=O)N[C@@H]1CC[C@H](CC1)NC(=O)C(=O)OCC
Title of publication	Diethyl <i>N</i>,<i>N</i>'-cyclohexane-1,4-diyldioxalamate
Authors of publication	Francisco J. Martínez-Martínez; Paloma Maya-Lugardo; Efrén V. García-Báez; Herbert Höpfl; Julio Hernández-Díaz; Itzia I. Padilla-Martínez
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	9
Pages of publication	o2994 - o2996
a	13.145 ± 0.003 Å
b	7.2093 ± 0.0015 Å
c	8.6617 ± 0.0017 Å
α	90°
β	106.709 ± 0.003°
γ	90°
Cell volume	786.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0803
Residual factor for significantly intense reflections	0.0727
Weighted residual factors for significantly intense reflections	0.1716
Weighted residual factors for all reflections included in the refinement	0.1768
Goodness-of-fit parameter for all reflections included in the refinement	1.186
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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