Information card for entry 7123664

Structure parameters

• Formula: C24 H12 F9 N3 O3
• Calculated formula: C24 H12 F9 N3 O3
• Title of publication: Aluminium-catalysed isocyanate trimerization, enhanced by exploiting a dynamic coordination sphere
• Authors of publication: Bahili, Mohammed A.; Stokes, Emily C.; Amesbury, Robert C.; Ould, Darren M. C.; Christo, Bashar; Horne, Rhian J.; Kariuki, Benson M.; Stewart, Jack A.; Taylor, Rebekah L.; Williams, P. Andrew; Jones, Matthew D.; Harris, Kenneth D. M.; Ward, Benjamin D.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 16.3987 ± 0.0007 Å
• b: 16.3987 ± 0.0007 Å
• c: 18.1743 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4232.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.2686
• Weighted residual factors for all reflections included in the refinement: 0.2951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No