Information card for entry 1545706

Structure parameters

• Formula: C25 H20 B F3 N O P Te
• Calculated formula: C25 H20 B F3 N O P Te
• SMILES: [Te]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[N](=Cc2c1cccc2)O[B](F)(F)F
• Title of publication: FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases
• Authors of publication: Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio
• Journal of publication: Faraday Discuss.
• Year of publication: 2017
• a: 10.117 ± 0.0007 Å
• b: 13.3307 ± 0.0009 Å
• c: 20.4052 ± 0.0014 Å
• α: 90°
• β: 99.848 ± 0.002°
• γ: 90°
• Cell volume: 2711.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No