Information card for entry 2226299

Structure parameters

• Common name: DTNE
• Chemical name: 1,1'-(Ethane-1,2-diyl)bis(1,4,7-triazonane)
• Formula: C14 H32 N6
• Calculated formula: C14 H32 N6
• SMILES: N1CCN(CCN2CCNCCNCC2)CCNCC1
• Title of publication: 1,1'-(Ethane-1,2-diyl)bis(1,4,7-triazonane)
• Authors of publication: Knight, James C.; Fallis, Ian A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1513
• a: 6.2732 ± 0.0003 Å
• b: 6.4988 ± 0.0003 Å
• c: 10.7152 ± 0.0006 Å
• α: 99.751 ± 0.002°
• β: 93.115 ± 0.002°
• γ: 110.41 ± 0.003°
• Cell volume: 400.45 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.2075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes