Information card for entry 1545708

Structure parameters

• Formula: C10 H9 B F3 N O Te
• Calculated formula: C10 H9 B F3 N O Te
• SMILES: [Te]1[N](=C(C=C1c1ccccc1)C)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: 8.027 ± 0.0019 Å
• b: 7.1053 ± 0.0017 Å
• c: 19.994 ± 0.005 Å
• α: 90°
• β: 95.552 ± 0.004°
• γ: 90°
• Cell volume: 1135 ± 0.5 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99.15 K
• Number of distinct elements: 7
• 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: 0.0633
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No