Information card for entry 1545709

Structure parameters

• Formula: C34 H41 B F3 N3 O Te
• Calculated formula: C34 H41 B F3 N3 O Te
• SMILES: [Te]1([N](=Cc2c1cccc2)O[B](F)(F)F)=C1N(C=CN1c1c(C(C)C)cccc1C(C)C)c1c(cccc1C(C)C)C(C)C
• 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: 10.7711 ± 0.0015 Å
• b: 16.584 ± 0.002 Å
• c: 19.77 ± 0.003 Å
• α: 90°
• β: 102.005 ± 0.003°
• γ: 90°
• Cell volume: 3454.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.95 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: 0.1176
• Residual factor for significantly intense reflections: 0.1063
• Weighted residual factors for significantly intense reflections: 0.2678
• Weighted residual factors for all reflections included in the refinement: 0.2753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No