Information card for entry 7029751

Structure parameters

• Formula: C26 H27 B2 Bi F6 N2 O3
• Calculated formula: C26 H27 B2 Bi F6 N2 O3
• SMILES: [Bi]123(OB(OB(O1)c1cc(ccc1)C(F)(F)F)c1cc(ccc1)C(F)(F)F)[N](C)(Cc1cccc(c31)C[N]2(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: 13.1011 ± 0.0013 Å
• b: 13.287 ± 0.0008 Å
• c: 17.721 ± 0.001 Å
• α: 84.714 ± 0.005°
• β: 68.641 ± 0.005°
• γ: 81.857 ± 0.006°
• Cell volume: 2841.2 ± 0.4 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No