Information card for entry 1570096

Structure parameters

• Chemical name: Hexafluorobenzene:pyrrole
• Formula: C34 H20 F18 N4
• Calculated formula: C34 H20 F18 N4
• Title of publication: Single-crystal quality data from polycrystalline samples: finding the needle in the haystack.
• Authors of publication: Bear, Joseph Charles; Terzoudis, Nikitas; Cockcroft, Jeremy Karl
• Journal of publication: IUCrJ
• Year of publication: 2023
• Journal volume: 10
• Journal issue: 6
• a: 12.6847 ± 0.0003 Å
• b: 5.8648 ± 0.0002 Å
• c: 23.2236 ± 0.0005 Å
• α: 90°
• β: 93.284 ± 0.002°
• γ: 90°
• Cell volume: 1724.84 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• 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: 0.0701
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1594
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No