Information card for entry 7116254

Structure parameters

• Chemical name: JB-1-35 2,3,5,6-Me4-pyrazine-1,4-dioxide, [I-(CF2)6-I]2
• Formula: C20 H12 F24 I4 N2 O2
• Calculated formula: C20 H12 F24 I4 N2 O2
• Title of publication: Stabilizing volatile liquid chemicals using co-crystallization.
• Authors of publication: Aakeröy, Christer B; Wijethunga, Tharanga K.; Benton, Joshua; Desper, John
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2425 - 2428
• a: 12.3893 ± 0.0014 Å
• b: 12.6332 ± 0.0014 Å
• c: 13.1553 ± 0.0014 Å
• α: 67.319 ± 0.004°
• β: 75.273 ± 0.004°
• γ: 67.884 ± 0.004°
• Cell volume: 1745.6 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No