Information card for entry 1545711

Structure parameters

• Formula: C88 H108 B2 F6 N6 O3 Te2
• Calculated formula: C88 H108 B2 F6 N6 O3 Te2
• SMILES: [Te]1(O[Te]2[N](=C(C=C2c2ccccc2)C)O[B](F)(F)F)[N](=C(C=C1c1ccccc1)C)O[B](F)(F)F.n1(c[n+](c2c(cccc2C(C)C)C(C)C)cc1)c1c(cccc1C(C)C)C(C)C.n1(c[n+](c2c(C(C)C)cccc2C(C)C)cc1)c1c(C(C)C)cccc1C(C)C.c1(ccccc1)C.c1c(C)cccc1
• 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: 12.2007 ± 0.0006 Å
• b: 20.9116 ± 0.001 Å
• c: 17.3413 ± 0.0008 Å
• α: 90°
• β: 107.773 ± 0.001°
• γ: 90°
• Cell volume: 4213.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No