Information card for entry 2206710

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 ų
• 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 Fobs: Yes