Information card for entry 7238279

Structure parameters

• Chemical name: N,N,N',N'-tetraacetyl 1,4-cyclohexanediamine
• Formula: C14 H22 N2 O4
• Calculated formula: C14 H22 N2 O4
• Title of publication: Effective double-ended chelating agents: crystal structures of N,N,N′,N′-tetraacetyl diamino derivatives and their chelates
• Authors of publication: Aakeröy, Christer B.; Desper, John; Haque, Naheed; Hussain, Izhar
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 3218
• a: 12.3457 ± 0.0013 Å
• b: 5.8212 ± 0.0006 Å
• c: 10.0737 ± 0.001 Å
• α: 90°
• β: 107.176 ± 0.007°
• γ: 90°
• Cell volume: 691.68 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0751
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1739
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.331
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No