Information card for entry 1545554

Structure parameters

• Common name: VAZO-88
• Chemical name: (<i>E</i>)-1,1'-(Diazene-1,2-diyl)bis(cyclohexane-1-carbonitrile)
• Formula: C14 H20 N4
• Calculated formula: C14 H20 N4
• SMILES: N(=N/C1(C#N)CCCCC1)\C1(C#N)CCCCC1
• Title of publication: (<i>E</i>)-1,1'-(Diazene-1,2-diyl)bis(cyclohexane-1-carbonitrile)
• Authors of publication: Begum, Farzana; Twamley, Brendan; Baker, Robert J.
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 3
• Pages of publication: x170369
• a: 5.874 ± 0.0019 Å
• b: 21.077 ± 0.007 Å
• c: 5.974 ± 0.002 Å
• α: 90°
• β: 110.372 ± 0.013°
• γ: 90°
• Cell volume: 693.4 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes