Information card for entry 7029753

Structure parameters

• Formula: C26 H27 B2 F6 N2 O3 Sb
• Calculated formula: C26 H27 B2 F6 N2 O3 Sb
• SMILES: [Sb]12(OB(OB(O1)c1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F)[N](Cc1c2c(ccc1)CN(C)C)(C)C
• Title of publication: Synthesis of heteroboroxines with MB2O3 core (M = Sb, Bi, Sn)-an influence of the substitution of parent boronic acids.
• Authors of publication: Kořenková, Monika; Mairychová, Barbora; Růžička, Aleš; Jambor, Roman; Dostál, Libor
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 19
• Pages of publication: 7096 - 7108
• a: 9.033 ± 0.0007 Å
• b: 16.9461 ± 0.0019 Å
• c: 19.8601 ± 0.0009 Å
• α: 90°
• β: 108.624 ± 0.005°
• γ: 90°
• Cell volume: 2880.9 ± 0.4 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• 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: 0.0735
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No