Information card for entry 2009625

Structure parameters

• Chemical name: Exo,exo-17-(3,3,3-trifluro-2-trifluoromethyl-1-azapropenyl)- 4,4,12,12,16,16-hexakis(trifluoromethyl)-3,11,17-triazaheptacyclo [12.4.1.1.^6,9^.0^2,13^.0^3,11^ 0^5,10^.0^15,18^]eicos-7-ene
• Formula: C26 H16 F24 N4
• Calculated formula: C26 H16 F25.5 N4
• Title of publication: <i>exo</i>,<i>exo</i>-4,4,12,12,16,16-Hexakis(trifluoromethyl)-17-(3,3,3-trifluoro-2-trifluoromethyl-1-azapropenyl)-3,11,17-triazaheptacyclo[12.4.1.1^6,9^.0^2,13^.0^3,11^.0^5,10^.0^15,18^]icos-7-ene formed <i>via</i> novel 1,3-dipolar cycloaddition to quadricyclane
• Authors of publication: Barlow, M.G.; Pritchard, R.G.; Suliman, N.S.; Tipping, A.E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 4
• Pages of publication: 553 - 556
• a: 9.525 ± 0.008 Å
• b: 12.936 ± 0.009 Å
• c: 25.831 ± 0.009 Å
• α: 78.16 ± 0.04°
• β: 83.79 ± 0.04°
• γ: 72.26 ± 0.05°
• Cell volume: 2963 ± 4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.0396
• Goodness-of-fit parameter for significantly intense reflections: 2.111
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No