Information card for entry 2105604

Structure parameters

• Chemical name: N,N'-3-azapentane-1,5-bis[1-(3-oxo-5,5-dimethyl-1-cyclohexenyl)]
• Formula: C20 H33 N3 O2
• Calculated formula: C20 H33 N3 O2
• Title of publication: Intermolecular N-H···O Hydrogen Bonding Assisted by Resonance. II. Self Assembly of Hydrogen-Bonded Secondary Enaminones in Supramolecular Catemers
• Authors of publication: Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 50 - 65
• a: 31.779 ± 0.005 Å
• b: 5.714 ± 0.001 Å
• c: 11.334 ± 0.005 Å
• α: 90°
• β: 92.76 ± 0.03°
• γ: 90°
• Cell volume: 2055.7 ± 1 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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 significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.62
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No